SCHEMBL7480676

SCHEMBL7480676

Cc1c(Cc2ccccc2C(=O)O)[nH]c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.51
GPBAR1 Q8TDU6 3/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL7475418 0.81 DHODH (0.50) KDM4EALDH1A1LMNACYP1A2MAPT
SCHEMBL7714863 0.78 CYSLTR1 (0.66) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL10533345 0.77 CYSLTR1 (0.62) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL7454590 0.77 GPBAR1 (0.74) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL7476650 0.76 ALOX5AP (0.53) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL9138220 0.76 AKR1C2 (0.57) CYSLTR1GPBAR1KDM4EMEN1ALDH1A1
SCHEMBL6090484 0.76 CYSLTR1 (0.73) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL9637029 0.76 GPBAR1 (0.69) CYSLTR1GPBAR1KDM4EMEN1NPC1
SCHEMBL7476207 0.76 GABRA1 (0.58) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL3296677 0.73 CYSLTR1 (0.69) CYSLTR1GPBAR1KDM4EMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210343-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-06-05 EP disclosed
WO-2001012187-A2 BENZOIC ACID DERIVATIVES AND THEIR USE AS PPAR RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-02-22 WO disclosed