SCHEMBL6431084

SCHEMBL6431084

CCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.71
CYP2C9 P11712 2/20 0.71
USP2 O75604 1/20 0.71
LMNA P02545 1/20 0.71
TBXA2R P21731 1/20 0.71
MAPK1 P28482 1/20 0.71
KMT2A Q03164 1/20 0.71
PTGS2 P35354 6/20 0.63
PTGS1 P23219 2/20 0.63
AKR1B10 O60218 1/20 0.63
UGT1A9 O60656 1/20 0.63
TRPA1 O75762 1/20 0.63
ABCB11 O95342 1/20 0.63
MT-CO2 P00403 1/20 0.63
ALB P02768 1/20 0.63
CXCL8 P10145 1/20 0.63
UGT1A6 P19224 1/20 0.63
UGT1A1 P22309 1/20 0.63
CXCR1 P25024 1/20 0.63
ADRA1A P35348 1/20 0.63

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
Acetic Acid SCHEMBL28298005 0.96 TTR (0.70) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109328 0.93 TTR (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109329 0.93 TTR (0.68) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109322 0.91 TTR (0.67) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13109332 0.90 TTR (0.65) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13922743 0.90 TTR (0.74) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL14605848 0.89 TTR (0.67) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL10844751 0.89 TTR (0.70) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL13299162 0.88 TTR (0.73) TTRCYP2C9USP2LMNATBXA2R
SCHEMBL26655544 0.88 TTR (0.80) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060351-A1 NSAID-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2021-04-01 WO disclosed
WO-2009037707-A2 N-PHENYL ANTHRANILIC ACID DERIVATIVES AND USES THEREOF RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-03-26 WO disclosed
EP-1126838-A4 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-02-16 EP disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 WO disclosed