SCHEMBL13980461

SCHEMBL13980461

Bc1c(O)ccc2oc(-c3ccc(O)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.55
▸ CYP3A4 P08684 5/20 0.55
▸ HPGD P15428 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ IP6K2 Q9UHH9 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ ESR2 Q92731 3/20 0.53
▸ ESR1 P03372 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.50
▸ CSNK2A2 P19784 4/20 0.50
▸ CSNK2B P67870 4/20 0.50

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
SCHEMBL3933862 0.80 CSNK2A2 (0.57) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3925355 0.80 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3922827 0.80 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3932001 0.76 ESR1 (0.56) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL13980459 0.76 NPC1 (0.51) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3934054 0.76 MAPT (0.57) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL1740975 0.74 SIRT1 (0.69) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL10144254 0.73 MAPT (0.77) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL31741263 0.71 MAPT (1.00) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL311405 0.71 MAPT (1.00) NPC1CYP3A4HPGDMAPTSMN1; SMN2

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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