SCHEMBL2935017

SCHEMBL2935017

Oc1c(O)c2cccc3ccc4cccc1c4c32

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
HSD17B10 Q99714 5/20 0.62
CYP1A2 P05177 4/20 0.62
HPGD P15428 4/20 0.62
THRB P10828 2/20 0.62
TSHR P16473 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CDK2 P24941 1/20 0.45
CYP2A6 P11509 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL31035972 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL13176817 0.84 HSD17B10 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31540365 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL30236746 0.82 ALDH1A1 (0.88) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL12486208 0.82 CYP1A2 (0.63) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31017587 0.82 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL15476714 0.82 CYP1A2 (0.58) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL4853824 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29370709 0.79 ALDH1A1 (0.82) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL31177932 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118460488-A Mutant of cyclohydroxylation dioxygenase and application thereof 上海交通大学 2024-08-09 CN disclosed
US-20230296982-A1 POLYMER, COMPOSITION, METHOD FOR PRODUCING POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, CIRCUIT PATTERN FORMATION METHOD, AND COMPOSITION FOR OPTICAL MEMBER FORMATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-21 US disclosed
US-20230296982-A1 POLYMER, COMPOSITION, METHOD FOR PRODUCING POLYMER, COMPOSITION, COMPOSITION FOR FILM FORMATION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, COMPOSITION FOR UNDERLAYER FILM FORMATION FOR LITHOGRAPHY, RESIST PATTERN FORMATION METHOD, METHOD FOR PRODUCING UNDERLAYER FILM FOR LITHOGRAPHY, CIRCUIT PATTERN FORMATION METHOD, AND COMPOSITION FOR OPTICAL MEMBER FORMATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-21 US disclosed
US-20200209754-A1 HARDMASK COMPOSITION, HARDMASK LAYER AND METHOD OF FORMING PATTERNS SAMSUNG SDI CO., LTD. (KR) 2020-07-02 US disclosed
US-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
US-20140051144-A1 SILICA ENCAPSULATED BIOMATERIALS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-20 US disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-5935829-A DETERMINING MUTAGENICITY OF COMPOUNDS BY EXPOSING HUMAN LYMPHOBLASTOID CELL LINE TO CHEMICAL REQUIRING ACTIVATION BY OXIDATIVE ENZYMES, CULTURING CELLS, DETECTING NUMBER OF MUTANT CELLS, COMPARING FREQUENCY OF MUTATION TO CONTROLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-08-10 US disclosed