SCHEMBL9735577

SCHEMBL9735577

COCC1(C)C=C(OC2=CC(=O)CC2)c2cc(Br)ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.33
PBRM1 Q86U86 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MALT1 Q9UDY8 1/20 0.32

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
SCHEMBL9735707 0.78 MALT1 (0.33) NPSR1PBRM1KDM4EMAPTMALT1
SCHEMBL9737040 0.77 NPSR1 (0.30) NPSR1
SCHEMBL9736236 0.76 KDM4E (0.33) KDM4E
SCHEMBL9735249 0.72 POLB (0.33) NPSR1PBRM1KDM4EMAPTMALT1
SCHEMBL9734213 0.71 PBRM1 (0.33) NPSR1PBRM1MALT1
SCHEMBL9736148 0.68 XIAP (0.32) PBRM1
SCHEMBL9736934 0.68 NPSR1 (0.33) NPSR1KDM4EMAPT
SCHEMBL8539965 0.68 MAPT (0.43) NPSR1PBRM1KDM4EMAPT
SCHEMBL9735702 0.66 PBRM1 (0.31) PBRM1
SCHEMBL28738550 0.65 PTGS1 (0.35) NPSR1

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed