SCHEMBL7122864

SCHEMBL7122864

CCc1ccc(Nc2c(C)cccc2Cl)c(CC(=O)OCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.61
LMNA P02545 2/20 0.61
USP2 O75604 1/20 0.61
CYP2C9 P11712 1/20 0.61
TBXA2R P21731 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
PTGS2 P35354 8/20 0.60
CAMK2A Q9UQM7 2/20 0.48
ABCB11 O95342 2/20 0.47
PTGS1 P23219 2/20 0.47
NR1I3 Q14994 2/20 0.47
PPARG P37231 1/20 0.47
CXCL8 P10145 2/20 0.43
AKR1B10 O60218 1/20 0.43
UGT1A9 O60656 1/20 0.43
TRPA1 O75762 1/20 0.43
MT-CO2 P00403 1/20 0.43
ALB P02768 1/20 0.43
UGT1A6 P19224 1/20 0.43

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
SCHEMBL6036587 0.94 TTR (0.69) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL6036194 0.89 TTR (0.60) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL1031824 0.88 PTGS2 (0.76) TTRPTGS2CAMK2AABCB11PTGS1
SCHEMBL6036173 0.88 PTGS2 (0.52) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL6036162 0.83 PTGS2 (0.76) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL6036623 0.81 PTGS2 (0.72) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL6036435 0.81 KMT2A (0.49) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL6036157 0.81 USP2 (0.49) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL23691079 0.80 TTR (0.76) TTRLMNAUSP2CYP2C9TBXA2R
SCHEMBL6036430 0.79 USP2 (0.46) TTRLMNAUSP2CYP2C9TBXA2R

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-1007505-B1 CERTAIN 5-ALKYL-2-ARYLAMINOPHENYLACETIC ACIDS AND DERIVATIVES NOVARTIS AG (CH) 2003-04-16 EP claimed