SCHEMBL9000255

SCHEMBL9000255

O=C(O)c1cc(F)ccc1Nc1ccc(F)cc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.61
FABP4 P15090 1/20 0.61
MPO P05164 1/20 0.60
KEAP1 Q14145 1/20 0.57
P2RY4 P51582 1/20 0.53
KCNK2 O95069 1/20 0.50
P2RY2 P41231 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
FTO Q9C0B1 1/20 0.48
AKR1C3 P42330 6/20 0.47
AKR1C2 P52895 6/20 0.47
DHODH Q02127 3/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CLCN2 P51788 1/20 0.44

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
SCHEMBL22720122 0.91 FABP4 (0.66) FABP3FABP4MPOP2RY4ALDH1A1
SCHEMBL28741319 0.91 FABP3 (0.55) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL22853383 0.89 P2RY4 (0.56) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL30294653 0.89 P2RY4 (0.56) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL28741301 0.88 FABP3 (0.63) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL28741321 0.87 MPO (0.61) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL22853097 0.87 FABP3 (0.51) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL30294242 0.87 FABP3 (0.51) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL19980681 0.86 KEAP1 (0.60) FABP3FABP4MPOKEAP1P2RY4
SCHEMBL22852866 0.85 FABP3 (0.50) FABP3FABP4MPOKEAP1P2RY4

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-5523472-A Process for the preparation of 5-fluoroanthranilic acid HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-04 US disclosed