SCHEMBL8618024

SCHEMBL8618024

O=C(c1ccccc1)c1ccc(OCc2ccccc2)cc1S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.57
NR4A2 P43354 2/20 0.56
MAOB P27338 3/20 0.56
PTGES O14684 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMPD1 P17405 1/20 0.51
RAB9A P51151 2/20 0.50
PARP10 Q53GL7 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
PTPN1 P18031 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL4131804 0.87 MAOB (0.60) SRD5A2NR4A2MAOBNR4A1NR4A3
SCHEMBL26863 0.85 MAOB (0.71) SRD5A2NR4A2MAOBPTGESNR4A1
SCHEMBL29481015 0.85 MAOB (0.71) SRD5A2NR4A2MAOBPTGESNR4A1
SCHEMBL5119495 0.85 SRD5A2 (0.59) SRD5A2NR4A2MAOBPTGESNR4A1
SCHEMBL7480033 0.84 SRD5A2 (0.66) SRD5A2NR4A2MAOBPTGESNR4A1
Benzophenone SCHEMBL28215327 0.84 MAOB (0.69) SRD5A2NR4A2MAOBPTGESNR4A1
SCHEMBL14315506 0.83 SRD5A2 (0.60) SRD5A2NR4A2MAOBPTGESNR4A1
SCHEMBL4125549 0.82 MAOB (0.58) NR4A2MAOBNR4A1NR4A3SMN1; SMN2
SCHEMBL5377638 0.81 SRD5A2 (0.58) SRD5A2NR4A2MAOBPTGESNR4A1
SCHEMBL2686883 0.81 PTGES (0.70) SRD5A2NR4A2MAOBPTGESNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723458-A 1,4-BENZOTHIAZEPINES GLAXO WELLCOME INC. (US) 1998-03-03 US disclosed
EP-0683774-A1 HYPOLIPIDAEMIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-29 EP disclosed
WO-1994018184-A1 HYPOLIPIDAEMIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-08-18 WO disclosed