SCHEMBL6009595

SCHEMBL6009595

CCOC(=O)c1cccc2[nH]c3cccc(C(=O)OCC)c3c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HCRTR1 O43613 1/20 0.50
RAB9A P51151 1/20 0.50
MAP3K5 Q99683 1/20 0.49
CDC25B P30305 2/20 0.49
CLEC4M Q9H2X3 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL6008342 0.94 TSHR (0.54) TSHRKDM4EALDH1A1HSD17B10CDK1
SCHEMBL479247 0.89 KDM4E (0.62) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL7381951 0.87 TSHR (0.50) TSHRKDM4EALDH1A1HSD17B10CDK1
SCHEMBL10365907 0.82 TSHR (0.49) TSHRKDM4EALDH1A1HSD17B10CDK1
SCHEMBL10642644 0.82 KDM5A (0.55) TSHRKDM4EALDH1A1CDK1CDK2
SCHEMBL30254272 0.82 JAK2 (0.47) TSHRKDM4EALDH1A1HSD17B10CDK1
SCHEMBL15836985 0.81 TSHR (0.54) TSHRKDM4EALDH1A1HSD17B10CDK1
SCHEMBL7388179 0.80 GABRA1 (0.70) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL3681837 0.80 TSHR (0.68) TSHRKDM4EALDH1A1HSD17B10MAPT
SCHEMBL6007667 0.80 NR4A2 (0.53) TSHRKDM4EALDH1A1HSD17B10MEN1

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-20060183022-A1 Electrochemical cell NEC TOKIN CORORATION (JP) 2006-08-17 US disclosed