SCHEMBL6217830

SCHEMBL6217830

COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1cc[c]c(C(F)(F)F)c1-c1ccc2c(c1)CCOO2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
GPR119 Q8TDV5 3/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PARP14 Q460N5 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL6220252 0.95 ANPEP (0.32) ENPP2MMP2ANPEP
SCHEMBL6218683 0.89 ITGB2 (0.35)
SCHEMBL6201490 0.87 ITGB2 (0.37)
SCHEMBL6220383 0.85 KDM4E (0.32)
SCHEMBL6218987 0.85 ITGB2 (0.36) ENPP2MMP2ANPEP
SCHEMBL6219913 0.84 GPR183 (0.37) ENPP2
SCHEMBL6197037 0.82 ITGB2 (0.38)
SCHEMBL6222372 0.79 PARP14 (0.38) ENPP2GPR119PARP14
SCHEMBL6220061 0.79 ENPP2 (0.36) ENPP2
SCHEMBL6217553 0.79 ENPP2 (0.34) ENPP2

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
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed