SCHEMBL9150972

SCHEMBL9150972

COc1ccc(-c2nc(CCCCCCC#N)oc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.43
RXRB P28702 6/20 0.43
NR4A2 P43354 3/20 0.43
PPARD Q03181 6/20 0.42
RXRG P48443 2/20 0.41
AOC3 Q16853 1/20 0.41
ADORA1 P30542 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL9152238 1.00 RXRA (0.43) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9153947 0.94 PPARD (0.46) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9151359 0.94 PPARD (0.46) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9150030 0.94 PPARD (0.46) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9152575 0.94 PPARD (0.46) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9150003 0.86 RXRA (0.40) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9150010 0.86 RXRA (0.40) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9146520 0.84 RXRA (0.40) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9147494 0.84 SIRT2 (0.55) RXRARXRBNR4A2PPARDRXRG
SCHEMBL9148476 0.84 RXRA (0.52) RXRARXRBNR4A2RXRGAOC3

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