SCHEMBL6971629

SCHEMBL6971629

[CH2]OC(=O)C1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
ELANE P08246 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MIF P14174 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL72482 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6966829 1.00 CES2 (0.50) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL305004 0.97
SCHEMBL304922 0.92
SCHEMBL305397 0.86
SCHEMBL2198986 0.80 CES2 (0.58) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL248821 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL11862575 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL776566 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6939791 0.78 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0763053-A4 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORP (US) 1998-09-09 EP disclosed
US-5760025-A ADMINISTERING TESTOSTERONE 5A-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-06-02 US disclosed
US-5717088-A REACTING WITH A CYANOPHOSPHATE IN THE PRESENCE OF AN ALKALI METAL CYANIDE SANKYO COMPANY, LIMITED (JP) 1998-02-10 US disclosed
US-5698720-A INTERMEDIATES FOR TESTOSTERONE 5-ALPHA-REDUCTASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
EP-0567271-B1 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO CO (JP) 1997-07-02 EP disclosed
EP-0763053-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
EP-0725074-A2 Compounds suitable for use as intermediates in the preparation of Androst-3,5-dien-3-carboxy derivatives SANKYO COMPANY LIMITED (JP) 1996-08-07 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
WO-1995033761-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
EP-0567271-A2 Steroid derivatives for the treatment of prostatic hypertrophy, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-10-27 EP disclosed
EP-0236074-B1 2BETA-SUBSTITUTED THIOMETHYLPENICILLIN DERIVATIVES AND THEIR PREPARATION AND USE TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1992-01-08 EP disclosed
US-4861768-A 2 β-substituted thiomethylpenicillin derivatives and their preparation and use TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-08-29 US disclosed
EP-0236074-A1 2Beta-substituted thiomethylpenicillin derivatives and their preparation and use TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-09-09 EP disclosed
US-4668514-A Penicillin derivatives TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1987-05-26 US disclosed
US-4562073-A BETA-LACTAMASE INHIBITORS TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-12-31 US disclosed
US-4529592-A Substituted in position 2 with a (4,5-diester-1,2,3-triazol-3-yl)alkyl group TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-07-16 US disclosed
EP-0138523-A1 Penicillin derivatives and process for preparing the same (11111) TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-04-24 EP disclosed