SCHEMBL10729971

SCHEMBL10729971

CCOC(=O)/C=C(\C)CN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.41
GLO1 Q04760 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 4/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL5776494 1.00 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6641334 1.00 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL2948325 0.82 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL9512735 0.82 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL2952591 0.82 NPSR1 (0.56) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL18290046 0.80 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11445029 0.80 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482738 0.79 NPSR1 (0.48) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL15482740 0.78 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL18536698 0.78 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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-4663350-A ANTIDEPRESSANTS, ANTICONVULSANTS SYNTHELABO (FR) 1987-05-05 US disclosed