SCHEMBL9548075

SCHEMBL9548075

Cc1cccc(C(=O)O)c1N=CCc1cc(C(C)(C)C)cc2c1CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.43
RXRG P48443 9/20 0.41
RXRB P28702 9/20 0.38
NOTUM Q6P988 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
MYC P01106 1/20 0.32
RARG P13631 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL9182809 0.80 RXRA (0.48) RXRARXRGRXRBNOTUMNR1H4
SCHEMBL9182817 0.80 RXRA (0.48) RXRARXRGRXRBNOTUMNR1H4
SCHEMBL9548038 0.74 RARG (0.49) RXRARXRGRXRBRARGRARB
SCHEMBL1225260 0.72 RXRA (0.47) RXRARXRGRXRB
SCHEMBL3633427 0.72 RXRA (0.65) RXRARXRGRXRBNR1H4RARG
SCHEMBL29528253 0.71 RXRA (0.52) RXRARXRGRXRBNR1H4
SCHEMBL585772 0.70 RXRA (0.50) RXRARXRGRXRB
SCHEMBL29403030 0.70 RXRA (0.50) RXRARXRGRXRB
SCHEMBL28665083 0.69 RXRA (0.48) RXRARXRGRXRB
SCHEMBL9548060 0.68 RARG (0.49) RXRARXRGRXRBRARGRARB

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-5264615-A Perfumes or odors GIVAUDAN CORPORATION (US) 1993-11-23 US disclosed