SCHEMBL7929446

SCHEMBL7929446

C=CC(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.55
RXRB P28702 9/20 0.55
RARB P10826 12/20 0.51
RARG P13631 12/20 0.51
RARA P10276 11/20 0.51
CYP26A1 O43174 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP26B1 Q9NR63 1/20 0.51
RXRG P48443 7/20 0.48
PPARG P37231 1/20 0.47

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
SCHEMBL7947694 0.88 CYP3A4 (0.47) RXRARXRBRARBRARGRARA
SCHEMBL7949336 0.86 RXRA (0.69) RXRARXRBRARBRARGRARA
SCHEMBL7923059 0.83 RXRA (0.55) RXRARXRBRARBRARGRARA
SCHEMBL7923000 0.81 RXRA (0.49) RXRARXRBRARBRARGRARA
SCHEMBL7932924 0.75 RARA (0.55) RXRARXRBRARBRARGRARA
SCHEMBL7947687 0.73 CYP3A4 (0.42) RXRARXRBRARBRARGRARA
SCHEMBL7931988 0.73 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL7929418 0.73 RARB (0.50) RXRARXRBRARBRARGRARA
SCHEMBL7949488 0.72 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL7931172 0.72 RXRA (0.70) 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 4 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
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