SCHEMBL7929418

SCHEMBL7929418

C=CC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.50
RARG P13631 13/20 0.50
RXRA P19793 11/20 0.50
RXRB P28702 10/20 0.50
RARA P10276 10/20 0.50
RXRG P48443 8/20 0.50
CYP26A1 O43174 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP26B1 Q9NR63 1/20 0.42

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
SCHEMBL7931972 0.81 RXRA (0.38) RARBRARGRXRARXRBRARA
SCHEMBL7929520 0.81 RXRA (0.42) RARBRARGRXRARXRBRARA
SCHEMBL7949336 0.80 RXRA (0.69) RARBRARGRXRARXRBRARA
SCHEMBL7931979 0.78 RARB (0.36) RARBRARGRXRARXRBRARA
SCHEMBL7923000 0.75 RXRA (0.49) RARBRARGRXRARXRBRARA
SCHEMBL7932924 0.74 RARA (0.55) RARBRARGRXRARXRBRARA
SCHEMBL7949397 0.74 CYP26A1 (0.34) RARBRARGRXRARXRBRARA
SCHEMBL7929446 0.73 RXRA (0.55) RARBRARGRXRARXRBRARA
SCHEMBL8608202 0.72 RXRA (0.51) RARBRARGRXRARXRBRARA
SCHEMBL7929435 0.72 RXRA (0.32) RARBRARGRXRARXRBRARA

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
EP-0879223-B1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CT EUROP DE BIOPROSPECTIVE CEB (FR) 2001-11-07 EP claimed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US claimed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed