SCHEMBL9682898

SCHEMBL9682898

CCn1cccc(C2=CC(C)(C)Oc3ccc(Br)cc32)c1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
CYP1B1 Q16678 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL9682106 0.87 ALDH1A1 (0.42) NPSR1KDM4EMAPT
SCHEMBL9680894 0.85 RARA (0.33) RARARARBRARGNPSR1MAPT
SCHEMBL9680361 0.84 KDM4E (0.36) KDM4E
SCHEMBL9682129 0.84 ALDH1A1 (0.36) NPSR1MAPT
SCHEMBL9680897 0.75 ALDH1A1 (0.43) NPSR1KDM4EMAPT
SCHEMBL9680903 0.74 SMN1; SMN2 (0.41) NPSR1KDM4EMAPT
SCHEMBL9680365 0.74 PBRM1 (0.35) RARARARBRARGKDM4E
SCHEMBL9681507 0.72 CASP1 (0.42) KDM4EMAPT
SCHEMBL9681489 0.72 ALDH1A1 (0.41) NPSR1KDM4EMAPT
SCHEMBL9680406 0.71 POLB (0.45) RARARARBRARGKDM4EMAPT

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed