SCHEMBL8626769

SCHEMBL8626769

CC(C)(C)c1ccc(Oc2ccc(C#N)c(C#N)c2)c(Oc2ccc(C#N)c(C#N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.45
CYP19A1 P11511 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
ESRRA P11474 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
SCHEMBL16541770 0.88 AR (0.42) ARCYP19A1FNTAFNTBPGGT1B
SCHEMBL7269840 0.85 HPGD (0.50) ARCYP19A1
SCHEMBL16310195 0.84 EPAS1 (0.40) ARCYP19A1FNTAFNTBPGGT1B
SCHEMBL8433072 0.83 KIF11 (0.51) ARESRRA
SCHEMBL8629666 0.81 AR (0.42) ARCYP19A1
SCHEMBL16310206 0.81 CYP19A1 (0.54) ARCYP19A1FNTAFNTBPGGT1B
SCHEMBL9847760 0.81 AR (0.50) ARCYP19A1
SCHEMBL22349668 0.81 AR (0.48) ARFNTAFNTBPGGT1BESRRA
SCHEMBL30566936 0.79 KIF11 (0.47) AR
SCHEMBL497451 0.79 KIF11 (0.47) AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757702-B1 POLY (IMIDE-ETHERS) DU PONT (US) 1998-07-01 EP disclosed
US-5675020-A CHEMICAL INTERMEDIATES FOR PREPARING AROMATIC POLYIMIDES THE UNIVERSITY OF LIVERPOOL (GB) 1997-10-07 US disclosed
US-5434240-A Films. fibers, encapsulation, thermoplastics THE UNIVERSITY OF LIVERPOOL (GB) 1995-07-18 US disclosed