SCHEMBL7591583

SCHEMBL7591583

CN1c2cc(C(=O)OCc3ccccc3)ccc2CCCC1CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.45
CHRNA7 P36544 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNA5 P30532 2/20 0.45
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
LMNA P02545 2/20 0.41
ACHE P22303 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7591575 0.71 ITGB3 (0.46) SRD5A1SRD5A2LMNAACHETDP1
SCHEMBL26630607 0.70 TMEM97 (0.56) CHRNA7SRD5A1SRD5A2LMNATDP1
SCHEMBL6953267 0.69 ITGB3 (0.52) SRD5A1SRD5A2LMNATDP1SLC6A2
SCHEMBL6953271 0.69 ITGB3 (0.52) SRD5A1SRD5A2LMNATDP1SLC6A2
SCHEMBL15841487 0.69 BRD4 (0.51) SRD5A1SRD5A2LMNATDP1SLC6A2
SCHEMBL26630610 0.69 TMEM97 (0.55) CHRNA7SRD5A1SRD5A2LMNATDP1
SCHEMBL15158561 0.69 MAOA (0.61) SRD5A1SRD5A2LMNATDP1SLC6A2
SCHEMBL21612896 0.68 ACHE (0.52) SRD5A1SRD5A2LMNAACHETDP1
SCHEMBL30954999 0.68 ACHE (0.52) SRD5A1SRD5A2LMNAACHETDP1
SCHEMBL8536091 0.68 LMNA (0.50) SRD5A1SRD5A2LMNATDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed