SCHEMBL21473650

SCHEMBL21473650

O=C(O)COCCc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.65
CYP2C9 P11712 2/20 0.65
USP2 O75604 1/20 0.65
LMNA P02545 1/20 0.65
TBXA2R P21731 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
PTGS2 P35354 7/20 0.64
CXCL8 P10145 4/20 0.64
PTGS1 P23219 2/20 0.64
AKR1B10 O60218 1/20 0.64
UGT1A9 O60656 1/20 0.64
TRPA1 O75762 1/20 0.64
ABCB11 O95342 1/20 0.64
MT-CO2 P00403 1/20 0.64
ALB P02768 1/20 0.64
UGT1A6 P19224 1/20 0.64
UGT1A1 P22309 1/20 0.64
CXCR1 P25024 1/20 0.64
ADRA1A P35348 1/20 0.64

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
SCHEMBL6712916 0.82 PTGS2 (0.73) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL3891807 0.81 KMT2A (0.47) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL29364020 0.79 TTR (1.00) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL25734 0.79 TTR (1.00) TTRCYP2C9USP2LMNATBXA2R
Diclofenac SCHEMBL29354260 0.79 PTGS2 (1.00) TTRCYP2C9USP2LMNATBXA2R
Diclofenac SCHEMBL2799 0.79 PTGS2 (1.00) TTRCYP2C9USP2LMNATBXA2R
Diclofenac SCHEMBL996716 0.79 PTGS2 (1.00) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL3897629 0.79 KMT2A (0.49) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL2905138 0.78 TTR (0.97) TTRCYP2C9USP2LMNATBXA2R
Aceclofenac SCHEMBL16697727 0.78 TTR (0.97) 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
EP-3357522-B1 COATED MEDICAL ARTICLE FOR DRUG RELEASE INTERFACE BIOLOGICS INC (CA) 2019-10-16 EP disclosed