SCHEMBL9490769

SCHEMBL9490769

CC(C(=O)O)c1cccc([NH])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.59
PTGS2 P35354 9/20 0.59
MAPT P10636 3/20 0.59
SLC22A6 Q4U2R8 3/20 0.59
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
HIF1A Q16665 2/20 0.59
RECQL P46063 1/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CXCL8 P10145 1/20 0.59
THPO P40225 1/20 0.59
AKR1C3 P42330 9/20 0.46

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
SCHEMBL602096 0.86 PTGS2 (0.69) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1345333 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1343681 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1343675 0.80 PTGS1 (0.62) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1344829 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1492650 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL490681 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL3240938 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1345442 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1
SCHEMBL1345440 0.78 PTGS1 (0.61) PTGS1PTGS2MAPTSLC22A6CXCR1

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-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US claimed