SCHEMBL7931972

SCHEMBL7931972

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.38
RXRB P28702 7/20 0.38
RARB P10826 12/20 0.36
RARG P13631 12/20 0.36
RARA P10276 10/20 0.36
RXRG P48443 5/20 0.34
CYP26A1 O43174 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP26B1 Q9NR63 1/20 0.33
WRN Q14191 1/20 0.32

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
SCHEMBL7931979 0.81 RARB (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7929418 0.81 RARB (0.50) RXRARXRBRARBRARGRARA
SCHEMBL7929520 0.80 RXRA (0.42) RXRARXRBRARBRARGRARA
SCHEMBL7922809 0.78 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL7949397 0.76 CYP26A1 (0.34) RXRARXRBRARBRARGRARA
SCHEMBL7929435 0.76 RXRA (0.32) RXRARXRBRARBRARGRARA
SCHEMBL7931062 0.75 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL7949336 0.74 RXRA (0.69) RXRARXRBRARBRARGRARA
SCHEMBL7922980 0.70 RXRA (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7922977 0.70 RXRA (0.36) RXRARXRBRARBRARGRARA

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
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 disclosed
US-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed