SCHEMBL752740

SCHEMBL752740

O=C(O)CNC(=O)O[C@H](F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.43
ATM Q13315 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ABAT P80404 1/20 0.40
ACE P12821 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ECE1 P42892 1/20 0.39
BLM P54132 1/20 0.39
NPEPPS P55786 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37

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
SCHEMBL11655732 0.83 CRHBP (0.53) MMECRHBPCRHR2ABATACE
SCHEMBL27650909 0.81 MME (0.44) MMECRHBPCRHR2ABATACE
SCHEMBL11860604 0.78 MME (0.44) MMECRHBPCRHR2ABATACE
SCHEMBL4784860 0.76 POLB (0.50) ALDH1A1HSD17B10MEN1MAPTKMT2A
SCHEMBL27471886 0.76 KMT2A (0.39) CRHBPCRHR2HPGDMAPK1MEN1
SCHEMBL8879718 0.74 MME (0.45) MMECRHBPCRHR2ABATACE
SCHEMBL28387237 0.74 CYP2D6 (0.44) ALDH1A1MAPK1KMT2A
SCHEMBL28387238 0.74 CYP2D6 (0.44) ALDH1A1MAPK1KMT2A
SCHEMBL11629718 0.74 MME (0.54) MMEABATACEALDH1A1HPGD
SCHEMBL30221846 0.73 PPARG (0.47) MMECRHBPCRHR2ACEALDH1A1

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-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed