SCHEMBL7922994

SCHEMBL7922994

C=CC(c1ccc(-c2nnn[nH]2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.35
RXRB P28702 1/20 0.35
RARB P10826 12/20 0.35
RARG P13631 11/20 0.35
RARA P10276 11/20 0.33
CYP26A1 O43174 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31

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
SCHEMBL7929406 0.87 RXRA (0.38) RXRA
SCHEMBL7929435 0.83 RXRA (0.32) RXRARXRBRARBRARGRARA
SCHEMBL7922974 0.77 RARB (0.43) RXRARXRBRARBRARGRARA
SCHEMBL8522599 0.76 RARB (0.59) RXRARARBRARGRARACYP26A1
SCHEMBL7922809 0.74 RXRA (0.43) RXRARXRBRARBRARGRARA
SCHEMBL7792406 0.73 RARG (0.59) RXRARXRBRARBRARGRARA
SCHEMBL7792396 0.73 RARG (0.59) RXRARXRBRARBRARGRARA
SCHEMBL7792400 0.73 RARG (0.59) RXRARXRBRARBRARGRARA
SCHEMBL10864842 0.71 RARB (0.43) RXRARXRBRARBRARGRARA
SCHEMBL10864845 0.71 RARB (0.43) 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 6 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
EP-0879223-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS Centre Europeen de Bioprospective -CEB (FR) 1998-11-25 EP disclosed
WO-1997026237-A1 AROMATIC POLYCYCLIC RETINOID-TYPE DERIVATIVES, METHOD FOR PREPARING SAME, AND USE THEREOF FOR MAKING PHARMACEUTICAL AND COSMETIC COMPOSITIONS CENTRE EUROPEEN DE BIOPROSPECTIVE - CEB (FR) 1997-07-24 WO disclosed