SCHEMBL11453058

SCHEMBL11453058

CC(Nc1cccc(C(=O)c2ccccc2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.55
PTGS2 P35354 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
CXCR1 P25024 2/20 0.55
CXCR2 P25025 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPK1 P28482 1/20 0.55
PMP22 Q01453 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CXCL8 P10145 1/20 0.55
THPO P40225 1/20 0.55
HIF1A Q16665 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55

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
SCHEMBL11453059 1.00 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2MAPTCXCR1
Water SCHEMBL11454953 0.98 PTGS1 (0.54) PTGS1PTGS2SMN1; SMN2MAPTCXCR1
Water SCHEMBL11454954 0.98 PTGS1 (0.54) PTGS1PTGS2SMN1; SMN2MAPTCXCR1
SCHEMBL11464120 0.91 MAPT (0.52) PTGS1PTGS2SMN1; SMN2MAPTCXCR1
SCHEMBL11472005 0.90 CNR1 (0.48) PTGS1PTGS2SMN1; SMN2MAPTCXCR1
SCHEMBL31006729 0.87 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1KDM4EHSD17B10
SCHEMBL17785165 0.85 KMT2A (0.58) SMN1; SMN2ALDH1A1HPGDMAPK1TDP1
SCHEMBL17785164 0.85 KMT2A (0.58) SMN1; SMN2ALDH1A1HPGDMAPK1TDP1
SCHEMBL669563 0.85 MAPK13 (0.61) PTGS1PTGS2SMN1; SMN2MAPTCXCR1
SCHEMBL669564 0.85 MAPK13 (0.61) PTGS1PTGS2SMN1; SMN2MAPTCXCR1

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-4223039-A ANALGESICS METABIO JOULLIE (FR) 1980-09-16 US claimed
US-4223039-A ANALGESICS METABIO JOULLIE (FR) 1980-09-16 US disclosed