SCHEMBL7040464

SCHEMBL7040464

C[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.76
PTGS1 P23219 5/20 0.76
PTGS2 P35354 5/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
ALDH1A1 P00352 3/20 0.76
LMNA P02545 3/20 0.76
CXCR1 P25024 2/20 0.76
CXCR2 P25025 2/20 0.76
CYP3A4 P08684 2/20 0.76
RECQL P46063 1/20 0.76
KDM4E B2RXH2 1/20 0.76
HPGD P15428 1/20 0.76
MAPK1 P28482 1/20 0.76
PMP22 Q01453 1/20 0.76
SLC22A6 Q4U2R8 1/20 0.76
HSD17B10 Q99714 1/20 0.76
CXCL8 P10145 1/20 0.76
THPO P40225 1/20 0.76
HIF1A Q16665 1/20 0.76
HTT P42858 3/20 0.62

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
SCHEMBL31318264 1.00 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL1887588 1.00 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL1887586 1.00 MAPT (0.76) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL15486529 0.90 MAPT (0.62) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL28181870 0.88 PTGS2 (0.58) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL11772474 0.88 MAPT (0.59) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL2336923 0.87 PTGS1 (0.71) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL13433693 0.87 PTGS1 (0.71) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
SCHEMBL2336917 0.87 PTGS1 (0.71) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1
Ketoprofen SCHEMBL679920 0.86 PTGS1 (1.00) MAPTPTGS1PTGS2SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US claimed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP claimed
EP-4272761-A2 COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS Medicon Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed