SCHEMBL28080434

SCHEMBL28080434

CCCc1ccccc1C(=O)OO.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 2/20 0.46
TSHR P16473 5/20 0.44
SCN1A P35498 3/20 0.43
SCN2A Q99250 3/20 0.43
SCN3A Q9NY46 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
FOLH1 Q04609 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL1494672 0.98 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL28205757 0.90 TSHR (0.49) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL165358 0.88 TSHR (0.50) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL28264849 0.87 TSHR (0.48) ALDH1A1LMNAKMT2ATSHRSCN1A
Methyl Alcohol SCHEMBL28224946 0.86 TSHR (0.49) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL671316 0.86 TSHR (0.51) ALDH1A1LMNAKMT2ATSHRTDP1
SCHEMBL28406804 0.85 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL6462771 0.85 ALDH1A1 (0.53) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL1532511 0.85 TSHR (0.50) ALDH1A1LMNAKMT2ATSHRSCN1A
SCHEMBL6327887 0.85 THRA (0.54) ALDH1A1LMNAKMT2ATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115721634-A Tomoxetine hydrochloride composition, preparation method thereof and application thereof in oral solution 海南卓科制药有限公司 2023-03-03 CN claimed
CN-114931548-A Preparation method of gendarussa wine gel paste 季华实验室 2022-08-23 CN disclosed
CN-114681400-A Salt oral solution preparation containing ebastine and preparation method thereof 南京联智医药科技有限公司 2022-07-01 CN disclosed
CN-113520998-A Vortioxetine oral drops and preparation method thereof 北京丰科睿泰医药科技有限公司 2021-10-22 CN disclosed
CN-107510650-B Pidotimod oral solution and preparation method thereof 山东达因海洋生物制药股份有限公司 2021-03-26 CN disclosed
CN-105640890-B Insoluble active ingredient particle, particle preparation and preparation method thereof 华东理工大学 2020-09-18 CN disclosed
CN-110870840-A Alginate dental impression material 袁付红 2020-03-10 CN disclosed
CN-106727291-B Tomoxetine hydrochloride oral solution and preparation method thereof 山东达因海洋生物制药股份有限公司 2020-02-11 CN disclosed
CN-110327468-A Isoxazoline composition and its purposes in the parasitic infestation for preventing or treating animal 英特维特国际股份有限公司 2019-10-15 CN disclosed
CN-108472252-A LISINOPRIL FORMULATIONS 希沃盖特制药公司 2018-08-31 CN disclosed
CN-105813651-A Isoxazoline compositions and their use in preventing or treating parasitic infestations of animals 英特维特国际股份有限公司 2016-07-27 CN disclosed