SCHEMBL11543796

SCHEMBL11543796

CCOC(=O)C(C)c1ccc(CC2CCCCC2=NO)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 11/20 0.49
PTGS2 P35354 10/20 0.49
OPRK1 P41145 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
MT-CO1 P00395 1/20 0.40
MT-CO2 P00403 1/20 0.40
CYP19A1 P11511 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35

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
SCHEMBL11543792 1.00 PTGS1 (0.49) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11544215 0.85 PTGS1 (0.67) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11544218 0.85 PTGS1 (0.67) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11544831 0.84 PTGS1 (0.65) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11544830 0.84 PTGS1 (0.65) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11545111 0.83 PTGS1 (0.70) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL11545114 0.83 PTGS1 (0.70) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9141017 0.82 CYP4Z1 (0.42) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL9141011 0.82 CYP4Z1 (0.42) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL8846169 0.82 PTGS2 (0.73) 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