SCHEMBL27462222

SCHEMBL27462222

Cc1cc(C)c(Nc2c(F)cccc2C(F)(F)F)c(C(=O)OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.41
RAPGEF4 Q8WZA2 4/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
PDK2 Q15119 1/20 0.36
HPGD P15428 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
JAK1 P23458 2/20 0.35
JAK3 P52333 2/20 0.35
MAPK10 P53779 1/20 0.35
JAK2 O60674 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL27489636 0.84 PTGS2 (0.48) PTGS2RAPGEF4LMNATAS2R14
SCHEMBL6036637 0.73 PTGS2 (0.53) PTGS2HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL20332068 0.70 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL800329 0.70 LMNA (0.54) CA12CA1CA2CA7CA9
SCHEMBL6036720 0.70 PTGS2 (0.46) PTGS2HPGDMAPK10CYP1A2CYP3A4
SCHEMBL16723454 0.69 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL27439987 0.67 PTGS2 (0.51) PTGS2HPGDLMNAMEN1KMT2A
SCHEMBL28534333 0.67 PDK2 (0.46) CA12CA1CA2CA7CA9
SCHEMBL26746830 0.67 NPC1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27489637 0.67 PTGS2 (0.53) PTGS2RAPGEF4HPGDLMNAMEN1

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
CN-1140500-C Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives ��˹��ŵ�� 2004-03-03 CN disclosed
CN-1268112-A Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives thereof NOVARTIS AG (CH) 2000-09-27 CN disclosed