SCHEMBL13980465

SCHEMBL13980465

Bc1cc(OC)cc(CC(=O)c2ccc(OC)cc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC6 Q9UBN7 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ MAOA P21397 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
SCHEMBL3934766 0.78 GSK3B (0.53) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL13980506 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL3922719 0.76 HSD17B10 (0.69) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL8636638 0.73 NPC1 (0.61) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL15488927 0.72 KLF10 (0.60) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL457954 0.71 NPC1 (0.73) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL13461466 0.71 NPC1 (0.63) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL9057785 0.70 L3MBTL1 (0.72) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL31040323 0.70 L3MBTL1 (0.72) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL4914396 0.70 RAB9A (0.58) NPC1RAB9ASMN1; SMN2LMNAHTT

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
EP-1458700-B1 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH CORP (US) 2008-12-03 — — EP disclosed
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