SCHEMBL19683450

SCHEMBL19683450

CCC1(CS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.42
CTSK P43235 1/20 0.41
MCHR1 Q99705 1/20 0.41
CRBN Q96SW2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4635568 0.85 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL11637351 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL8653633 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL27991591 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1821908 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL86088 0.74 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL18769609 0.74 KMT2A (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL16179582 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
Hydrochloric Acid SCHEMBL18742407 0.72 KMT2A (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL9172097 0.70 PSIP1 (0.52) ALDH1A1SMN1; SMN2GAAHSD17B10

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-20170352791-A1 LIGHT-EMITTING MODULE AND LIGHT UNIT HAVING THEREOF LG INNOTEK CO., LTD. (KR) 2017-12-07 US disclosed