SCHEMBL11099260

SCHEMBL11099260

C=CCSN1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CASP3 P42574 3/20 0.47
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MC4R P32245 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GLS O94925 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL32679503 0.74 ALDH1A1 (0.43) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL10569870 0.74 CA12 (0.44) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL7745420 0.74 ALDH1A1 (0.43) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL10351913 0.74 ALDH1A1 (0.43) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL19848641 0.73 ALDH1A1 (0.45) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL11803233 0.72 CYP1A2 (0.43) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL10335606 0.71 DRD3 (0.44) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL10351514 0.71 CASP3 (0.46) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL11604125 0.71 CASP3 (0.41) ALDH1A1CASP3MAPTPKMHPGD
SCHEMBL170913 0.69 CASP3 (0.85) ALDH1A1CASP3MAPTPKMPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57042743-A None JP disclosed
JP-57042744-A None JP disclosed
US-4427439-A Composition for plant growth regulation GAF CORPORATION (US) 1984-01-24 US disclosed
JP-S5742744-A RUBBER COMPOSITION YOKOHAMA RUBBER CO LTD:THE 1982-03-10 JP disclosed
JP-S5742743-A RUBBER COMPOSITION YOKOHAMA RUBBER CO LTD:THE 1982-03-10 JP disclosed
JP-S05742743-A 0001-01-01 JP disclosed