SCHEMBL8370141

SCHEMBL8370141

O=C(O)COC(=O)C(c1ccccc1Nc1c(Cl)cccc1Cl)C(Cl)(Cl)CCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.55
CYP2C9 P11712 2/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
TBXA2R P21731 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
CXCL8 P10145 8/20 0.54
PTGS2 P35354 5/20 0.47
PTGS1 P23219 2/20 0.47
AKR1B10 O60218 1/20 0.47
UGT1A9 O60656 1/20 0.47
TRPA1 O75762 1/20 0.47
ABCB11 O95342 1/20 0.47
MT-CO2 P00403 1/20 0.47
ALB P02768 1/20 0.47
UGT1A6 P19224 1/20 0.47
UGT1A1 P22309 1/20 0.47
CXCR1 P25024 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL8370030 0.85 TTR (0.54) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8368383 0.84 CXCL8 (0.52) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8370142 0.83 TTR (0.56) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8370034 0.82 TTR (0.55) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL7754498 0.78 CXCL8 (0.55) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL9008056 0.72 TTR (0.47) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL11435906 0.72 CXCL8 (0.71) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL28873275 0.71 TTR (0.95) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL8371010 0.71 CXCL8 (0.53) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL25734 0.71 TTR (1.00) TTRCYP2C9USP2LMNATBXA2R

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
WO-1999062865-A1 HALOETHYL-2-[ (2,6-DICHLOROPHENYL) AMINO] PHENYLACETOXYACETATE DERIVATIVES AND THEIR USE AS AN INTERMEDIATE TO SYNTHESIZE ACECLOFENAC KIM JAE CHUL (KR) 1999-12-09 WO disclosed