SCHEMBL13980459

SCHEMBL13980459

C#Cc1c(O)ccc2oc(-c3ccc(O)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.51
▸ CYP3A4 P08684 5/20 0.51
▸ HPGD P15428 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ IP6K2 Q9UHH9 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ ALOX15 P16050 2/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP8 Q96LD8 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ ESR2 Q92731 4/20 0.49
▸ ESR1 P03372 3/20 0.49
▸ CSNK2A2 P19784 4/20 0.47
▸ CSNK2B P67870 4/20 0.47
▸ CSNK2A1 P68400 4/20 0.47

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
SCHEMBL3932001 0.85 ESR1 (0.56) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3925355 0.76 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL13980461 0.76 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3933862 0.76 CSNK2A2 (0.57) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3922827 0.76 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3934054 0.73 MAPT (0.57) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL1740975 0.70 SIRT1 (0.69) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL311405 0.68 MAPT (1.00) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL31741263 0.68 MAPT (1.00) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL29941531 0.66 ESR1 (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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