SCHEMBL8472263

SCHEMBL8472263

O=CCc1ccc(OCC2CCCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
NPC1 O15118 5/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ACACB O00763 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1299560 0.84 HPGD (0.64) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL4122451 0.79 HPGD (0.58) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6072643 0.79 SMN1; SMN2 (0.56) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL3019071 0.79 RAB9A (0.56) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL13849692 0.78 NPC1 (0.52) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL30611110 0.78 RAB9A (0.55) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL19599017 0.78 NPC1 (0.52) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL3394710 0.78 MEN1 (0.42) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL26454425 0.78 NPC1 (0.55) HPGDNPC1RAB9ASMN1; SMN2ACACB
SCHEMBL1390600 0.78 NPC1 (0.55) HPGDNPC1RAB9ASMN1; SMN2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999007693-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed