SCHEMBL10540975

SCHEMBL10540975

CC(=O)OC(C)c1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 16/20 0.48
RARB P10826 16/20 0.48
RARG P13631 15/20 0.48
RXRA P19793 4/20 0.40
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL9856383 0.89 RARA (0.46) RARARARBRARGRXRAABCB1
SCHEMBL9856391 0.83 RARA (0.49) RARARARBRARGRXRAABCB1
SCHEMBL10541102 0.81 RARA (0.56) RARARARBRARGRXRACYP26A1
SCHEMBL10541995 0.77 RARA (0.46) RARARARBRARGRXRAABCB1
SCHEMBL10541085 0.77 RARA (0.49) RARARARBRARGRXRACYP26A1
SCHEMBL9856299 0.77 RARB (0.56) RARARARBRARGRXRACYP26A1
SCHEMBL9856598 0.76 RARA (0.44) RARARARBRARGRXRAABCB1
SCHEMBL9856398 0.76 RARB (0.62) RARARARBRARGRXRAABCB1
Methane SCHEMBL9856408 0.74 ESR1 (0.57) RARARARBRARGRXRACYP26A1
SCHEMBL10834806 0.73 RARG (0.50) RARARARBRARGRXRA

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-4886907-A TREATMENT OF DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-12-12 US disclosed