SCHEMBL7872209

SCHEMBL7872209

COC(=O)C=Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.55
RARB P10826 5/20 0.55
RARG P13631 5/20 0.55
CYP26A1 O43174 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
CYP3A4 P08684 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TBXA2R P21731 1/20 0.52
BLVRB P30043 1/20 0.52
CYP26B1 Q9NR63 2/20 0.50
SNCA P37840 1/20 0.48
PKM P14618 2/20 0.48

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
SCHEMBL7872206 1.00 RARA (0.55) RARARARBRARGCYP26A1KMT2A
SCHEMBL7878314 0.89 PKM (0.62) RARARARBRARGCYP26A1KMT2A
SCHEMBL7878312 0.89 PKM (0.62) RARARARBRARGCYP26A1KMT2A
SCHEMBL7872280 0.86 CYP26A1 (0.51) RARARARBRARGCYP26A1KMT2A
SCHEMBL7872275 0.86 CYP26A1 (0.51) RARARARBRARGCYP26A1KMT2A
SCHEMBL7899451 0.84 CYP26A1 (0.60) RARARARBRARGCYP26A1KMT2A
SCHEMBL7899449 0.84 CYP26A1 (0.60) RARARARBRARGCYP26A1KMT2A
SCHEMBL7872241 0.80 RARB (0.50) RARARARBRARGCYP26A1KMT2A
SCHEMBL7872239 0.80 RARB (0.50) RARARARBRARGCYP26A1KMT2A
SCHEMBL18664648 0.79 PKM (0.60) KMT2AMEN1ALDH1A1SNCAPKM

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