SCHEMBL28592248

SCHEMBL28592248

O=C(O)c1ccc(N(CC2CC2)c2cc(C3CC3)cc(C3CC3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
LTC4S Q16873 12/20 0.42
PTGES O14684 2/20 0.39
ALOX5 P09917 2/20 0.39
KMO O15229 1/20 0.37
CYP2C9 P11712 1/20 0.37
MRGPRX4 Q96LA9 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
SCHEMBL31003856 0.93 KMO (0.47) RXRARXRBRXRGLTC4SPTGES
SCHEMBL28591824 0.89 RXRA (0.36) RXRARXRBRXRGLTC4SPTGES
SCHEMBL28586459 0.84 RXRA (0.54) RXRARXRBRXRGKMOCYP2C9
SCHEMBL31003766 0.83 KMO (0.43) RXRARXRBRXRGLTC4SPTGES
SCHEMBL28592318 0.83 RXRA (0.39) RXRARXRBRXRGKMOMRGPRX4
SCHEMBL28590408 0.82 RXRA (0.50) RXRARXRBRXRGKMOCYP2C9
SCHEMBL28581716 0.81 TAS2R14 (0.43) RXRARXRBRXRGKMO
SCHEMBL28603748 0.81 RXRA (0.40) RXRARXRBRXRGKMOMRGPRX4
SCHEMBL829556 0.79 RXRA (0.42) RXRARXRBRXRGLTC4SPTGES
SCHEMBL28603448 0.79 KDM4C (0.44) RXRARXRBRXRGPTGESALOX5

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