SCHEMBL9735707

SCHEMBL9735707

COCC1(C)Oc2ccc(Br)cc2C(OC2=CC(=O)CC2)=C1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.33
PBRM1 Q86U86 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL9736303 0.85 MALT1 (0.36) MALT1
SCHEMBL9735577 0.78 NPSR1 (0.33) MALT1PBRM1NPSR1KDM4EMAPT
SCHEMBL9734747 0.78 NSD2 (0.32)
SCHEMBL9735400 0.77 KDM4E (0.35) NPSR1KDM4E
SCHEMBL9734213 0.77 PBRM1 (0.33) MALT1PBRM1NPSR1CYP19A1
SCHEMBL9737951 0.72 PTGER1 (0.34) MALT1NPSR1KDM4EMAPT
SCHEMBL9737036 0.71 NPSR1 (0.32) NPSR1KDM4EMAPT
SCHEMBL9736148 0.67 XIAP (0.32) PBRM1
SCHEMBL9735702 0.65 PBRM1 (0.31) PBRM1
SCHEMBL8539965 0.65 MAPT (0.43) PBRM1NPSR1KDM4EMAPT

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