SCHEMBL10694294

SCHEMBL10694294

CC(=O)c1ccc2c(c1)C(C)(C)CCN2C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.58
RARA P10276 4/20 0.58
RARG P13631 3/20 0.43
RXRA P19793 5/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
RXRB P28702 2/20 0.41
HNF4A P41235 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXRG P48443 1/20 0.40
HPGD P15428 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
SCHEMBL7669186 0.91 RARB (0.50) RARBRARARARGRXRAHDAC1
SCHEMBL9145602 0.88 RARB (0.47) RARBRARARARGRXRARXRB
SCHEMBL26471787 0.86 RARA (0.76) RARBRARARARGRXRAHNF4A
SCHEMBL7671024 0.84 RARA (0.52) RARBRARARARGRXRARXRB
SCHEMBL7671033 0.84 RARA (0.52) RARBRARARARGRXRARXRB
SCHEMBL7671029 0.84 RARA (0.52) RARBRARARARGRXRARXRB
SCHEMBL10558185 0.84 NOTUM (0.44) RARBRARARARGRXRAHDAC1
SCHEMBL17325079 0.82 RARA (0.53) RARBRARAHPGD
SCHEMBL7665311 0.82 RARA (0.50) RARBRARARARGRXRAHDAC1
SCHEMBL7665318 0.82 RARA (0.50) RARBRARARARGRXRAHDAC1

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-4788213-A TREATING ACNE AND PSORIASIS HOFFMAN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4678793-A ACNE, PSORIASIS, ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1987-07-07 US disclosed