SCHEMBL13739751

SCHEMBL13739751

O=C(O)Cc1ccccc1C(=O)OC(=O)c1ccccc1CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.56
AKR1B1 P15121 2/20 0.55
TDP1 Q9NUW8 1/20 0.48
CXCL8 P10145 5/20 0.46
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
ABCB11 O95342 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ADORA1 P30542 1/20 0.41
CHRM1 P11229 1/20 0.41
AKR1B10 O60218 1/20 0.40
UGT1A9 O60656 1/20 0.40
TRPA1 O75762 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40

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
SCHEMBL13739755 0.93 BCAT2 (0.50) BCAT2AKR1B1TDP1CXCL8LMNA
SCHEMBL1162462 0.85 ALDH1A1 (0.60) BCAT2AKR1B1LMNAALDH1A1KDM4E
SCHEMBL11108973 0.82 BCAT2 (0.50) BCAT2AKR1B1TDP1CXCL8ALDH1A1
SCHEMBL27587890 0.82 BCAT2 (0.50) BCAT2AKR1B1TDP1CXCL8LMNA
SCHEMBL1492385 0.82 TSHR (0.67) BCAT2AKR1B1TDP1ALDH1A1KDM4E
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.81 AKR1B1 (0.61) BCAT2AKR1B1TDP1ALDH1A1KDM4E
2-Carboxybenzeneacetic Acid SCHEMBL1891118 0.81 AKR1B1 (0.61) BCAT2AKR1B1TDP1ALDH1A1KDM4E
SCHEMBL7285341 0.80 ALDH1A1 (0.65) BCAT2AKR1B1TDP1LMNAALDH1A1
SCHEMBL5984166 0.80 BCAT2 (0.49) BCAT2AKR1B1TDP1CXCL8LMNA
2-Carboxybenzeneacetic Acid SCHEMBL4828304 0.79 BCAT2 (0.59) BCAT2AKR1B1TDP1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707470-B1 AROMATIC IMIDES AS LUBRICANT ADDITIVES LUBRIZOL CORP (US) 2021-04-21 EP disclosed
EP-2707470-A1 AROMATIC IMIDES AND ESTERS AS LUBRICANT ADDITIVES The Lubrizol Corporation (US) 2014-03-19 EP disclosed
WO-2012154708-A1 AROMATIC IMIDES AND ESTERS AS LUBRICANT ADDITIVES THE LUBRIZOL CORPORATION (US) 2012-11-15 WO disclosed