SCHEMBL17354615

SCHEMBL17354615

COc1cc(Oc2ccc(C)cc2)ccc1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 1.00
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
IMPDH2 P12268 1/20 0.44

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
SCHEMBL31060324 1.00 AR (1.00) ARPOLBGAAALDH1A1CYP19A1
SCHEMBL31060632 0.86 AR (1.00) ARPOLBGAAALDH1A1CYP19A1
SCHEMBL21963833 0.85 AR (0.74) ARPOLBGAAALDH1A1CYP19A1
SCHEMBL13721646 0.85 AR (0.74) ARPOLBGAAALDH1A1CYP19A1
SCHEMBL17354620 0.83 AR (0.70) ARPOLBGAAALDH1A1CYP19A1
SCHEMBL16167721 0.82 AR (0.70) ARGAAALDH1A1CYP19A1
SCHEMBL2614475 0.82 AR (0.69) ARALDH1A1KDM4EUSP2IMPDH2
SCHEMBL1608900 0.82 AR (0.69) ARPOLBGAAALDH1A1KDM4E
SCHEMBL17354621 0.81 AR (0.68) ARALDH1A1CYP19A1KDM4E
SCHEMBL4178171 0.80 AR (1.00) ARPOLBGAACYP19A1IMPDH2

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
US-9216967-B2 Imidazolidinedione derivatives AUTIFONY THERAPEUTICS LIMITED (GB) 2015-12-22 US disclosed