SCHEMBL5202082

SCHEMBL5202082

COc1ccc(C(C=O)c2ccc(C)cc2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.47
ACHE P22303 2/20 0.47
BCHE P06276 1/20 0.47
TRIM24 O15164 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
ERN1 O75460 1/20 0.43
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GUSB P08236 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4731187 0.91 TYR (0.49) TYRACHEBCHETRIM24TRIM33
SCHEMBL3955351 0.87 MEN1 (0.51) TYRACHEBCHETRIM24TRIM33
SCHEMBL5207565 0.87 TYR (0.48) TYRACHEBCHETRIM24TRIM33
SCHEMBL5204089 0.85 TYR (0.42) TYRACHEGUSBLMNA
SCHEMBL22365701 0.83 TYR (0.65) TYRACHEBCHETRIM24TRIM33
SCHEMBL4661084 0.83 TYR (0.65) TYRACHEBCHETRIM24TRIM33
SCHEMBL26999431 0.80 ACHE (0.58) ACHEKMT2ANPC1RAB9ACYP3A4
SCHEMBL4450552 0.79 ALDH1A1 (0.39) TYRACHEBCHETRIM24TRIM33
SCHEMBL6205572 0.79 TYR (0.42) TYRACHEBCHETRIM24TRIM33
SCHEMBL5206956 0.78 MAOB (0.48) TYRACHEBCHENPC1RAB9A

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-1802599-A2 HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS The Ohio State University Research Foundation (US) 2007-07-04 EP disclosed
WO-2007001348-A2 HETEROARYL-CONTAINING ISOFLAVONES AS AROMATASE INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-01-04 WO disclosed