SCHEMBL28586459

SCHEMBL28586459

CCN(c1ccc(C(=O)O)cc1)c1cc(C2CC2)cc(C2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.54
RXRB P28702 9/20 0.54
RXRG P48443 8/20 0.54
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KMO O15229 1/20 0.38
CYP2C9 P11712 1/20 0.38
RARG P13631 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
RARB P10826 1/20 0.36

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
SCHEMBL31003834 0.93 RXRA (0.51) RXRARXRBRXRGNPSR1KMO
SCHEMBL28590408 0.89 RXRA (0.50) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL28581716 0.85 TAS2R14 (0.43) RXRARXRBRXRGKMORARB
SCHEMBL28603748 0.85 RXRA (0.40) RXRARXRBRXRGKMORARG
SCHEMBL28592318 0.84 RXRA (0.39) RXRARXRBRXRGKMORARG
SCHEMBL28592248 0.84 RXRA (0.42) RXRARXRBRXRGKMOCYP2C9
SCHEMBL28603448 0.82 KDM4C (0.44) RXRARXRBRXRGNPSR1ALDH1A1
SCHEMBL31003809 0.82 RXRA (0.47) RXRARXRBRXRGNPSR1KMO
SCHEMBL11570366 0.82 RXRA (0.62) RXRARXRBRXRGALDH1A1
SCHEMBL28590237 0.81 NPSR1 (0.38) RXRARXRBRXRGNPSR1KMO

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
CN-113121393-A Aromatic amide compound and application thereof in medicines 广东东阳光药业有限公司 2021-07-16 CN disclosed