SCHEMBL11544831

SCHEMBL11544831

CC(C(=O)O)c1ccc(CC2CCCCCC2=NO)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 16/20 0.65
PTGS2 P35354 15/20 0.65
OPRK1 P41145 1/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 1/20 0.65
MT-CO1 P00395 1/20 0.54
MT-CO2 P00403 1/20 0.54
EPHX1 P07099 1/20 0.46
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
SCHEMBL11544830 1.00 PTGS1 (0.65) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11544218 0.99 PTGS1 (0.67) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11544215 0.99 PTGS1 (0.67) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11545114 0.96 PTGS1 (0.70) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11545111 0.96 PTGS1 (0.70) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11543796 0.84 PTGS1 (0.49) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11543792 0.84 PTGS1 (0.49) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11548462 0.83 PTGS1 (0.92) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9063273 0.82 PTGS1 (0.95) PTGS1PTGS2OPRK1HTTKMT2A
Arginine SCHEMBL11544512 0.81 PTGS1 (0.47) 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