SCHEMBL8007142

SCHEMBL8007142

CC(C)(C)c1cc(C(C)(C)C)cc(C2(CC=O)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.56
RXRG P48443 2/20 0.56
RARA P10276 1/20 0.56
RARB P10826 1/20 0.56
RARG P13631 1/20 0.56
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HMGCR P04035 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL8012498 0.76 RXRA (0.63) RXRARXRGRARARARBRARG
SCHEMBL8419298 0.73 RXRA (0.47) RXRARXRGRARARARBRARG
SCHEMBL7731726 0.73 RXRA (1.00) RXRARXRGRARARARBRARG
SCHEMBL7731728 0.73 RXRA (1.00) RXRARXRGRARARARBRARG
SCHEMBL8419189 0.71 RXRA (0.67) RXRARXRGRARARARBRARG
SCHEMBL19207570 0.67 MAOA (0.54)
SCHEMBL8520386 0.67 RXRA (0.34) RXRARXRGRARARARBRARG
SCHEMBL9248524 0.66 GABRA1 (0.42) RXRARXRGGABRA1GABRB2HMGCR
SCHEMBL27871630 0.66 GABRA1 (0.38) RXRARXRGGABRA1GABRB2HMGCR
SCHEMBL7996385 0.65 RXRA (0.59) RXRARXRGRARARARBRARG

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
WO-2000026173-A1 NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (DE) 2000-05-11 WO disclosed
US-6005007-A SKIN DISORDERS LIGAND PHARMACEUTICALS INCORPORATED 1999-12-21 US disclosed