SCHEMBL95495

SCHEMBL95495

[CH2]c1ccccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR1A P08908 6/20 0.55
DRD2 P14416 1/20 0.55
LIPE Q05469 1/20 0.53
LTA4H P09960 1/20 0.52
MAPK14 Q16539 1/20 0.52
ALPG P10696 1/20 0.50
PTK2B Q14289 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21380701 0.88 MEN1 (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL29227204 0.86 ALDH1A1 (0.53) MAPTL3MBTL1HTR1ASLC6A2SLC6A3
SCHEMBL6672651 0.84 TSHR (0.50) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL27515339 0.84 MAPT (0.56) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL339812 0.84 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL27438190 0.83 L3MBTL1 (0.55) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL27476393 0.83 MAPT (0.55) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL7446179 0.83 MAPT (0.76) MAPTMAPK1TDP1L3MBTL1HTR1A
Formaldehyde SCHEMBL27831678 0.82 MAPT (0.63) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL7565429 0.81 ABCB1 (0.59) HTR1ALTA4HADRA1DADRA1AADRA1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 833 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177250-A1 NOVEL HETEROCYCLIC INHIBITOR FOR HISTONE DEACETYLASE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 숙명여자대학교산학협력단 2023-09-21 WO claimed
WO-2023177249-A1 NOVEL BINARY HISTONE DEACETYLASE INHIBITOR AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 숙명여자대학교산학협력단 2023-09-21 WO claimed
CN-113874375-A Cyclic amide compounds and methods thereof for the treatment of rabies 株式会社大分大学先端医学研究所 2021-12-31 CN claimed
WO-2020246503-A1 CYCLIC AMIDE COMPOUNDS FOR RABIES TREATMENT AND METHOD THEREOF 株式会社大分大学先端医学研究所 2020-12-10 WO claimed
CN-107924124-A Negative photoresist composition for I-line with excellent etching resistance 荣昌化学制品株式会社 2018-04-17 CN claimed
WO-2017093157-A1 PIPERIDINE, PYRROLIDINE AND 2-OXO-1,3-OXAZINANE DERIVATIVES AS INHIBITORS OF BACTERIAL EFFLUX-PUMPS FOR THE TREATMENT OF MICROBIAL INFECTIONS BASILEA PHARMACEUTICA AG (CH) 2017-06-08 WO claimed
EP-2880020-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS The Board of Trustees of the University of Illinois (US) 2015-06-10 EP claimed
WO-2014022858-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-02-06 WO claimed
CN-103339116-A Substituted n-valeramide compound, preparation method and application thereof SHANGHAI INST MATERIA MEDICA 2013-10-02 CN claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
US-4599361-A ANTIARTHRITIC G. D. SEARLE & CO. (US) 1986-07-08 US claimed
EP-0185380-A2 Thiol based collagenase inhibitors G.D. Searle & Co. (US) 1986-06-25 EP claimed
US-4595700-A Thiol based collagenase inhibitors G. D. SEARLE & CO. (US) 1986-06-17 US claimed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP claimed
US-4436726-A TREATMENT OF IMMUNE DEFICIENCY DISEASES AND THROMBOSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-13 US claimed
EP-0054435-B1 N-ACYL PEPTIDE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-25 EP claimed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP claimed
EP-0054435-A1 N-acyl peptide compounds, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-06-23 EP claimed
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP claimed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US claimed