SCHEMBL9064899

SCHEMBL9064899

NNc1ccc(C(=O)O)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.64
KDM4E B2RXH2 9/20 0.64
MAPT P10636 6/20 0.64
ALDH1A1 P00352 6/20 0.64
GFER P55789 4/20 0.64
HSD17B10 Q99714 4/20 0.64
THRB P10828 3/20 0.64
HPGD P15428 3/20 0.64
HTT P42858 1/20 0.64
PLEC Q15149 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
GLA P06280 1/20 0.58
RCE1 Q9Y256 1/20 0.58
PTGER4 P35408 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
RAB9A P51151 1/20 0.54
PRKCI P41743 1/20 0.50

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
SCHEMBL23346408 0.84 MAPT (0.65) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL1002161 0.83 MAPT (0.69) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL1067119 0.82 PRKCI (0.73) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL31202243 0.82 MAPT (0.61) GAAKDM4EMAPTALDH1A1GFER
Hydrochloric Acid SCHEMBL18691959 0.81 PRKCI (0.71) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL5924534 0.79 MAPT (0.64) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL2344997 0.79 GAA (0.63) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL20604900 0.78 MAPT (0.58) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL6235537 0.78 ALDH1A1 (0.58) GAAKDM4EMAPTALDH1A1GFER
SCHEMBL7976731 0.78 ALDH1A1 (0.73) GAAKDM4EMAPTALDH1A1GFER

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
EP-2623101-B1 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2021-04-21 EP disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed