SCHEMBL9149302

SCHEMBL9149302

N#CCCCCCCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.52
RXRB P28702 16/20 0.52
RXRG P48443 13/20 0.52
NR4A2 P43354 5/20 0.46
AOC3 Q16853 1/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS1 P23219 2/20 0.42
EPHX2 P34913 2/20 0.42
PTGS2 P35354 2/20 0.42
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL9148476 1.00 RXRA (0.52) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9153947 0.91 PPARD (0.46) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9150030 0.91 PPARD (0.46) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9152575 0.91 PPARD (0.46) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9151359 0.91 PPARD (0.46) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9152186 0.86 NR4A2 (0.61) RXRARXRBRXRGNR4A2AOC3
SCHEMBL8114398 0.86 NR4A2 (0.61) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9147525 0.84 RXRA (0.47) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9147515 0.84 RXRA (0.47) RXRARXRBRXRGNR4A2AOC3
SCHEMBL9152238 0.84 RXRA (0.43) RXRARXRBRXRGNR4A2AOC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US claimed
US-5403852-A Antiinflammatory agents LABORATOIRE ROGER BELLON (FR) 1995-04-04 US disclosed