SCHEMBL9856398

SCHEMBL9856398

Cc1c(C(=O)O)ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc12

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 16/20 0.62
RARG P13631 16/20 0.62
RARA P10276 15/20 0.62
RXRA P19793 4/20 0.51
CYP26A1 O43174 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
ABCB1 P08183 1/20 0.44
ABCC1 P33527 1/20 0.44

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
SCHEMBL9856299 0.91 RARB (0.56) RARBRARGRARARXRACYP26A1
SCHEMBL9856250 0.81 RARB (0.53) RARBRARGRARARXRARXRB
Methane SCHEMBL9856408 0.80 ESR1 (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL9856315 0.80 RARG (0.50) RARBRARGRARARXRARXRB
SCHEMBL4875804 0.79 RARB (0.69) RARBRARGRARARXRACYP26A1
SCHEMBL10471102 0.78 RARA (0.52) RARBRARGRARARXRACYP26A1
SCHEMBL9856310 0.78 RARA (0.50) RARBRARGRARARXRACYP26A1
SCHEMBL9856405 0.78 RARA (0.52) RARBRARGRARARXRACYP26A1
SCHEMBL9856391 0.77 RARA (0.49) RARBRARGRARARXRACYP26A1
SCHEMBL2331952 0.77 RARB (1.00) RARBRARGRARARXRACYP26A1

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 3 patents. 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 claimed
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