SCHEMBL7929586

SCHEMBL7929586

CC1(C)CCC(C)(C)c2cc(C(=Cc3ccc(-c4nnn[nH]4)cc3)c3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 14/20 0.44
RARB P10826 13/20 0.44
RARA P10276 13/20 0.44
RXRA P19793 11/20 0.44
CYP26A1 O43174 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44

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
SCHEMBL7792396 0.85 RARG (0.59) RARGRARBRARARXRACYP26A1
SCHEMBL7792406 0.85 RARG (0.59) RARGRARBRARARXRACYP26A1
SCHEMBL7792400 0.85 RARG (0.59) RARGRARBRARARXRACYP26A1
SCHEMBL10864845 0.83 RARB (0.43) RARGRARBRARARXRACYP26A1
SCHEMBL10864842 0.83 RARB (0.43) RARGRARBRARARXRACYP26A1
SCHEMBL7947520 0.81 RXRA (0.59) RARGRARBRARARXRACYP26A1
SCHEMBL10865573 0.79 RARA (0.39) RARGRARBRARARXRACYP26A1
SCHEMBL7949412 0.78 RXRA (0.71) RARGRARBRARARXRACYP26A1
SCHEMBL7949393 0.78 RXRA (0.53) RARGRARBRARARXRACYP26A1
SCHEMBL7931932 0.78 RARB (0.42) RARGRARBRARARXRACYP26A1

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