SCHEMBL3435210

SCHEMBL3435210

COc1ccc(CCCc2ccc(OC)nc2)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.68
▸ CYP19A1 P11511 1/20 0.68
▸ ESR2 Q92731 1/20 0.68
▸ POLB P06746 2/20 0.48
▸ CALM1 P0DP23 2/20 0.48
▸ IGF1R P08069 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41

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
Broussonin A SCHEMBL774802 0.82 ESR1 (1.00) ESR1CYP19A1ESR2POLBCALM1
SCHEMBL1734687 0.77 NPC1 (0.52) POLBALOX15DAOL3MBTL1
Broussonin E SCHEMBL31510414 0.77 CYP19A1 (0.74) ESR1CYP19A1ESR2POLBCALM1
Broussonin E SCHEMBL6825353 0.77 CYP19A1 (0.74) ESR1CYP19A1ESR2POLBCALM1
SCHEMBL29290893 0.74 ESR1 (0.69) ESR1CYP19A1ESR2POLBCALM1
SCHEMBL5756628 0.74 CYP4A11 (0.45) ALOX15DAOFFAR4L3MBTL1CASP3
SCHEMBL30380929 0.74 CYP4A11 (0.45) ALOX15DAOFFAR4L3MBTL1CASP3
SCHEMBL227115 0.74 ESR1 (0.73) ESR1CYP19A1ESR2POLBCALM1
SCHEMBL28957723 0.74 ESR1 (0.69) ESR1CYP19A1ESR2POLBCALM1
SCHEMBL27633878 0.74 ESR1 (0.69) ESR1CYP19A1ESR2POLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259689-A1 FLAVOR MOLECULES Givaudan SA (CH) 2010-12-15 — — EP disclosed
WO-2009105906-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2009-09-03 — — WO disclosed
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