SCHEMBL7922809

SCHEMBL7922809

C=CC(c1ccc(N)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.43
RXRB P28702 5/20 0.43
RARB P10826 15/20 0.40
RARG P13631 15/20 0.40
RARA P10276 12/20 0.40
CYP26A1 O43174 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP26B1 Q9NR63 1/20 0.37
RXRG P48443 3/20 0.35
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL7931062 0.81 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL7949336 0.80 RXRA (0.69) RXRARXRBRARBRARGRARA
SCHEMBL7931972 0.78 RXRA (0.38) RXRARXRBRARBRARGRARA
SCHEMBL7923066 0.76 RXRA (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7922980 0.76 RXRA (0.36) RXRARXRBRARBRARGRARA
SCHEMBL7922977 0.76 RXRA (0.36) RXRARXRBRARBRARGRARA
SCHEMBL9170858 0.76 MAPT (0.42) CYP3A4KDM4ENPC1USP2ALDH1A1
SCHEMBL3175854 0.75 RXRA (0.57) RXRARXRBRARBRARGRARA
SCHEMBL7931988 0.74 RXRA (0.40) RXRARXRBRARBRARGRARA
SCHEMBL29707990 0.74 RXRA (0.44) 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 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