SCHEMBL11548462

SCHEMBL11548462

CC(C(=O)O)c1ccc(CC2CCCCCC2=O)cc1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 17/20 0.92
PTGS2 P35354 16/20 0.92
OPRK1 P41145 1/20 0.92
HTT P42858 1/20 0.92
KMT2A Q03164 1/20 0.92
MT-CO1 P00395 1/20 0.58
MT-CO2 P00403 1/20 0.58
EPHX1 P07099 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX5 P09917 1/20 0.48
RARB P10826 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRB3 P13945 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
AKR1C3 P42330 1/20 0.48
NR1I3 Q14994 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.48

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
SCHEMBL9063273 0.99 PTGS1 (0.95) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL24423 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL14312087 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL8754892 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL28914090 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL28914092 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL11133884 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL28562193 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL28562194 0.96 PTGS1 (1.00) PTGS1PTGS2OPRK1HTTKMT2A
Loxoprofen SCHEMBL33007 0.95 PTGS1 (0.97) PTGS1PTGS2OPRK1HTTKMT2A

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
US-4161538-A 4-(2-OXO- OR HYDROXIMINO-CYCLOALKAN-1-YLMETHYL)-PHENYLACETIC ACID, ANTIINFLAMMATORY AGENTS SANKYO COMPANY LIMITED (JP) 1979-07-17 US disclosed