SCHEMBL8636638

SCHEMBL8636638

COc1ccc(C(=O)Cc2ccc(OC)cc2OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
HTT P42858 2/20 0.61
LMNA P02545 1/20 0.61
RAB9A P51151 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL6849659 0.91 L3MBTL1 (0.58) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL3922719 0.87 HSD17B10 (0.69) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL31040323 0.84 L3MBTL1 (0.72) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL9057785 0.84 L3MBTL1 (0.72) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL7054969 0.84 MEN1 (0.53) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL13980506 0.84 NPC1 (0.54) NPC1HTTLMNARAB9ASMN1; SMN2
SCHEMBL1097902 0.81 HSD17B10 (0.75) KMT2AMEN1APLNRHSD17B10
SCHEMBL30831943 0.81 HSD17B10 (0.75) KMT2AMEN1APLNRHSD17B10
SCHEMBL267732 0.81 CYP3A4 (0.62) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL29392677 0.81 CYP3A4 (0.62) HTTLMNASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 EP disclosed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed