SCHEMBL9734733

SCHEMBL9734733

O=C1C=CC(=O)N1CC1CCCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 2/20 0.58
ALDH1A1 P00352 9/20 0.57
TSHR P16473 3/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 3/20 0.53
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 2/20 0.48
NPC1 O15118 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL31438434 0.79 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL962547 0.78 TP53 (0.54) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL21045059 0.77 POLB (0.38) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL17114041 0.76 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL17196907 0.76 CYP1A2 (0.77) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL3660587 0.76 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL28112902 0.74 SLC6A2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL2308910 0.74 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL2355777 0.74 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19POLBALDH1A1
SCHEMBL27581441 0.74 LMNA (0.56) POLBALDH1A1

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
US-5143953-A N-alkyl maleimide thermal stabilizers for vinyl halide polymers THE B. F. GOODRICH COMPANY (US) 1992-09-01 US claimed
US-5143953-A N-alkyl maleimide thermal stabilizers for vinyl halide polymers THE B. F. GOODRICH COMPANY (US) 1992-09-01 US disclosed