SCHEMBL18858151

SCHEMBL18858151

Cc1cc2c(cc1C(C)C=O)CCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.37
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
KARS1 Q15046 1/20 0.33
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30

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
SCHEMBL29743366 0.75 RXRA (0.38) RXRARXRBRARARARBRARG
SCHEMBL6554250 0.75 RXRA (0.38) RXRARXRBRARARARBRARG
SCHEMBL29518297 0.74 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL9770756 0.74 RXRA (0.41) RXRARXRBRXRGRARARARB
SCHEMBL29638129 0.74 RXRA (0.38) RXRARXRBRXRGKARS1RARA
SCHEMBL22589962 0.70 ESR1 (0.35) RXRARXRBRXRGRARB
SCHEMBL27845310 0.70 RARG (0.44) RXRARXRBRXRGRARG
SCHEMBL16246070 0.69 RXRA (0.37) RXRARXRBRXRG
SCHEMBL10323390 0.68 RXRA (0.40) RXRARXRBRXRGRARARARB
SCHEMBL7896494 0.68 RXRA (0.47) RXRARXRBRXRGRARARARB

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-9656938-B2 Organic compounds GIVAUDAN S.A. (CH) 2017-05-23 US claimed