SCHEMBL7872239

SCHEMBL7872239

COC(=O)/C=C/c1ccccc1NC(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.50
RARG P13631 7/20 0.50
RARA P10276 6/20 0.50
CYP26A1 O43174 5/20 0.50
CYP3A4 P08684 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP26B1 Q9NR63 2/20 0.46
SNCA P37840 3/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
TBXA2R P21731 1/20 0.45
BLVRB P30043 1/20 0.45
RXRA P19793 5/20 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
SCHEMBL7872241 1.00 RARB (0.50) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7872180 0.89 CYP26A1 (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7872179 0.89 CYP26A1 (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7876465 0.86 CYP26A1 (0.47) RARBRARGRARACYP26A1MEN1
SCHEMBL7876464 0.86 CYP26A1 (0.47) RARBRARGRARACYP26A1MEN1
SCHEMBL7872206 0.80 RARA (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7872209 0.80 RARA (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL18046822 0.78 SNCA (0.64) MEN1KMT2AALDH1A1MAPK1SNCA
SCHEMBL18046820 0.78 SNCA (0.64) MEN1KMT2AALDH1A1MAPK1SNCA
SCHEMBL17914357 0.77 CYP26A1 (0.75) RARBRARGRARACYP26A1CYP3A4

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