SCHEMBL1853055

SCHEMBL1853055

O=C(O)C(=O)NC(Cc1ccc(-c2cccc3c2oc2ccccc23)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.40
MTTP P55157 6/20 0.40
PTPN2 P17706 2/20 0.38
PTPN1 P18031 2/20 0.38
ALOX5 P09917 1/20 0.38
GGPS1 O95749 1/20 0.38
C3AR1 Q16581 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
ACE P12821 1/20 0.37
CNR2 P34972 1/20 0.37
VKORC1 Q9BQB6 1/20 0.37
CTSA P10619 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
SCHEMBL6721473 0.80 ALOX5 (0.42) MTTPALOX5GGPS1VKORC1
SCHEMBL1852378 0.77 ALOX5 (0.42) MTTPALOX5GGPS1C3AR1VKORC1
SCHEMBL4324770 0.76 ALOX5 (0.46) MTTPALOX5GGPS1VKORC1
SCHEMBL4313217 0.76 MTTP (0.38) MTTPALOX5GGPS1CNR2VKORC1
SCHEMBL1239482 0.75 SERPINE1 (0.47) ALOX5GGPS1VKORC1
SCHEMBL6918012 0.75 ALOX5 (0.47) ALOX5GGPS1VKORC1
SCHEMBL5046221 0.75 ALOX5 (0.47) ALOX5GGPS1VKORC1
SCHEMBL6718959 0.73 SOAT1 (0.52) CNR2
SCHEMBL1854365 0.73 ALOX5 (0.37) MTTPALOX5GGPS1
SCHEMBL1856644 0.73 EPHX2 (0.48) ALOX5GGPS1CNR2VKORC1

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed