SCHEMBL8771649

SCHEMBL8771649

CC1=CCC(C)(C)c2ccc(C(=O)Nc3ccc([14C](=O)O)cc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 14/20 0.56
RARB P10826 11/20 0.56
RARG P13631 8/20 0.56
CYP26A1 O43174 5/20 0.46
CYP3A4 P08684 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP26B1 Q9NR63 2/20 0.42
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TBXA2R P21731 1/20 0.40
BLVRB P30043 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL4654688 0.86 RARA (0.72) RARARARBRARGCYP26A1CYP3A4
SCHEMBL4653632 0.79 RARA (0.63) RARARARBRARGCYP26A1CYP3A4
SCHEMBL6292560 0.74 RARA (0.68) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8771833 0.74 RARB (0.52) RARARARBRARG
SCHEMBL6086904 0.73 RARB (0.49) RARARARBRARGMEN1KMT2A
SCHEMBL4652495 0.72 RARA (0.68) RARARARBRARGCYP26A1CYP3A4
SCHEMBL6239917 0.72 RARB (1.00) RARARARBRARG
SCHEMBL6294092 0.72 RARA (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL4757231 0.71 RARA (1.00) RARARARBRARGCYP26A1CYP3A4
SCHEMBL8771827 0.70 RARA (0.78) RARARARBRARGCYP26A1CYP3A4

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
EP-0661259-B1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL MYERS SQUIBB CO (US) 1997-10-08 EP disclosed