SCHEMBL8884064

SCHEMBL8884064

COC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(c2ccccc2F)=CCC3(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 9/20 0.63
RARB P10826 9/20 0.63
RARG P13631 6/20 0.63
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 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
SCHEMBL8771715 0.90 RARA (0.77) RARARARBRARGALDH1A1MEN1
SCHEMBL27462421 0.81 RARA (0.72) RARARARBRARGRAB9ASMN1; SMN2
SCHEMBL8771659 0.80 RARA (0.59) RARARARBRARG
SCHEMBL8981568 0.79 RARA (0.58) RARARARBRARGNPC1RAB9A
SCHEMBL8843431 0.79 RARA (0.63) RARARARBRARG
SCHEMBL4757231 0.77 RARA (1.00) RARARARBRARGALDH1A1MEN1
SCHEMBL12365355 0.75 RARB (0.67) RARARARBRARG
SCHEMBL12366083 0.75 RARA (0.47) RARARARBRARG
SCHEMBL8028151 0.74 RARB (0.62) RARARARBRARG
SCHEMBL8842937 0.74 RARA (0.64) RARARARBRARG

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-5618839-A Retinoid-like compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed