SCHEMBL6352262

SCHEMBL6352262

CN(C)c1ccc(C(=O)N(C)c2cc(C(=O)C=Cc3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1.CN(C)c1ccc(C(=O)Nc2cc(C(O)C=Cc3ccc(C(=O)O)cc3)cc3c2C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.47
RARB P10826 5/20 0.47
RARG P13631 5/20 0.47
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
CYP26A1 O43174 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TBXA2R P21731 1/20 0.36
BLVRB P30043 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL6352265 0.93 RARA (0.39) RARARARBRARGKMT2AMEN1
SCHEMBL5047368 0.89 RARB (0.59) RARARARBRARGCYP26A1ALDH1A1
SCHEMBL5047378 0.89 RARB (0.59) RARARARBRARGCYP26A1ALDH1A1
SCHEMBL5047371 0.89 RARB (0.59) RARARARBRARGCYP26A1ALDH1A1
SCHEMBL5044039 0.88 RARB (0.60) RARARARBRARGKMT2AMEN1
SCHEMBL5044047 0.88 RARB (0.60) RARARARBRARGKMT2AMEN1
SCHEMBL5044058 0.88 RARB (0.60) RARARARBRARGKMT2AMEN1
SCHEMBL5047078 0.86 RARA (0.46) RARARARBRARGKMT2AMEN1
SCHEMBL5047082 0.86 RARA (0.46) RARARARBRARGKMT2AMEN1
SCHEMBL5047124 0.86 RARA (0.45) RARARARBRARGKMT2AMEN1

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-1513803-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS Galderma Research & Development, S.N.C. (FR) 2005-03-16 EP claimed
WO-2003101945-A1 LIGANDS THAT ARE INHIBITORS OF THE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2003-12-11 WO claimed