SCHEMBL9856405

SCHEMBL9856405

Cc1c(CO)ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 16/20 0.52
RARB P10826 16/20 0.52
RARG P13631 15/20 0.52
RXRA P19793 4/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 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
SCHEMBL9856377 0.86 RARA (0.46) RARARARBRARGRXRAESR1
SCHEMBL9856392 0.84 RARB (0.42) RARARARBRARGRXRAESR1
SCHEMBL10541085 0.82 RARA (0.49) RARARARBRARGRXRAESR1
Methane SCHEMBL9856408 0.81 ESR1 (0.57) RARARARBRARGRXRAESR1
SCHEMBL10540669 0.81 RARA (0.47) RARARARBRARGRXRACYP26A1
SCHEMBL9856299 0.79 RARB (0.56) RARARARBRARGRXRARXRB
SCHEMBL9856398 0.78 RARB (0.62) RARARARBRARGRXRARXRB
SCHEMBL9856391 0.78 RARA (0.49) RARARARBRARGRXRAESR1
SCHEMBL10541995 0.78 RARA (0.46) RARARARBRARGRXRAESR1
SCHEMBL10834806 0.77 RARG (0.50) RARARARBRARGRXRAESR1

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-5041639-A Polysubstituted derivatives of naphtalene, their process of preparation and their application in the cosmetic and pharmaceutical fields CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1991-08-20 US disclosed
US-4886907-A TREATMENT OF DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-12-12 US disclosed