SCHEMBL14577657

SCHEMBL14577657

O=C(c1cccc(O)c1)c1ccc2n1CCC2C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.76
CDC42 P60953 3/20 0.76
RAC1 P63000 3/20 0.76
PTGS1 P23219 2/20 0.76
PAK1 Q13153 2/20 0.76
NPC1 O15118 1/20 0.76
CHRM3 P20309 1/20 0.76
OPRM1 P35372 1/20 0.76
RAB9A P51151 1/20 0.76
ABCC4 O15439 1/20 0.62
HTT P42858 1/20 0.62
BLM P54132 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
TRPV1 Q8NER1 1/20 0.48
CA4 P22748 5/20 0.47
CA9 Q16790 5/20 0.47
CA12 O43570 4/20 0.47

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
Ketorolac SCHEMBL14892 0.86 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL23466702 0.86 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL14891 0.86 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL4103 0.86 PTGS2 (1.00) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL10961188 0.86 PTGS2 (0.74) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL11357953 0.86 PTGS2 (0.74) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL11603508 0.86 PTGS2 (0.74) PTGS2CDC42RAC1PTGS1PAK1
SCHEMBL11349092 0.86 PTGS2 (0.74) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL18797655 0.85 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1
Ketorolac SCHEMBL15661224 0.85 PTGS2 (0.97) PTGS2CDC42RAC1PTGS1PAK1

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
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed