SCHEMBL7878434

SCHEMBL7878434

CN(C(=O)/C=C/c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.69
RARG P13631 12/20 0.69
RARA P10276 10/20 0.69
RXRA P19793 11/20 0.58
CYP26A1 O43174 3/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
THPO P40225 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL7878436 1.00 RARB (0.69) RARBRARGRARARXRACYP26A1
SCHEMBL7882876 0.88 RARB (0.52) RARBRARGRARARXRACYP26A1
SCHEMBL1615597 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL1615595 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL1616018 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL7876428 0.80 RARB (0.74) RARBRARGRARARXRACYP26A1
SCHEMBL7876430 0.80 RARB (0.74) RARBRARGRARARXRACYP26A1
SCHEMBL5084734 0.79 CYP26B1 (0.75) RARBRARGRARARXRACYP26A1
SCHEMBL7872187 0.79 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL7872191 0.79 RARB (0.57) RARBRARGRARARXRACYP26A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed