SCHEMBL7545064

SCHEMBL7545064

CC(C(=O)O)c1ccc(C2CCCC2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 15/20 0.58
PTGS2 P35354 15/20 0.58
MT-CO1 P00395 1/20 0.58
MT-CO2 P00403 1/20 0.58
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 1/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL7545062 1.00 PTGS1 (0.58) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL28020964 0.83 HPGD (0.44) PTGS1PTGS2MT-CO1MT-CO2
Mexoprofen SCHEMBL2111806 0.83 PTGS1 (0.47) PTGS1PTGS2MT-CO1MT-CO2OPRK1
Mexoprofen SCHEMBL11858696 0.83 PTGS1 (0.47) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL11468007 0.78 APP (0.64) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL28874197 0.78 PTGS1 (0.43) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL2436189 0.78 APP (0.56) PTGS1PTGS2MT-CO1MT-CO2OPRK1
Hexaprofen SCHEMBL2111016 0.77 APP (0.67) PTGS1PTGS2MT-CO1MT-CO2OPRK1
SCHEMBL11428636 0.75 APP (0.51) PTGS1PTGS2MT-CO1MT-CO2APP
SCHEMBL59197 0.74 PTGS2 (0.74) PTGS1PTGS2LMNACYP2C9AKR1C3

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-2002047661-A1 PHARMACEUTICAL COMPOSITION FOR INTRAMUSCULAR INJECTION CONTAINING LOXOPROFEN SHIN POONG PHARMACEUTICAL CO., LTD. (KR) 2002-06-20 WO disclosed