SCHEMBL1979769

SCHEMBL1979769

O=C(O)CCc1ccccc1-c1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.52
TYRO3 Q06418 1/20 0.52
DYRK1B Q9Y463 1/20 0.52
PTGER4 P35408 7/20 0.49
PTGER3 P43115 7/20 0.49
PTGER1 P34995 6/20 0.49
PTGER2 P43116 6/20 0.49
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
PARP1 P09874 1/20 0.43
TBXAS1 P24557 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL6951802 0.81 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8539809 0.81 CYP4F2 (0.53) CSNK1A1TYRO3DYRK1BALDH1A1KDM4E
SCHEMBL8614473 0.79 CSNK1A1 (0.48) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8537907 0.78 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL9665277 0.78 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL17304239 0.78 CSNK1A1 (0.53) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8538264 0.78 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL71453 0.77 PTGER4 (0.68) PTGER4PTGER3PTGER1PTGER2CCNC
SCHEMBL8537580 0.76 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BMTORADK
SCHEMBL8538742 0.76 CYP1A2 (0.48) CSNK1A1TYRO3DYRK1BMTORADK

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
EP-2509981-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Eli Lilly and Company (US) 2012-10-17 EP disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed