SCHEMBL16664412

SCHEMBL16664412

CC(=O)Nc1cccc(N[C@@H](C(=O)O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
NAPRT Q6XQN6 1/20 0.53
POLB P06746 4/20 0.52
MAPT P10636 3/20 0.51
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 2/20 0.50
NR4A1 P22736 1/20 0.50
CYP1A2 P05177 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NQO2 P16083 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
F7 P08709 1/20 0.47
F3 P13726 1/20 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
SCHEMBL2482992 1.00 HSD17B10 (0.53) HSD17B10NAPRTPOLBMAPTALDH1A1
SCHEMBL13240806 1.00 HSD17B10 (0.53) HSD17B10NAPRTPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL2483476 0.98 HSD17B10 (0.51) HSD17B10NAPRTPOLBMAPTALDH1A1
SCHEMBL2993388 0.85 POLB (0.65) POLBMAPTALDH1A1RAB9ACYP1A2
SCHEMBL13240808 0.84 MAPT (0.52) HSD17B10NAPRTPOLBMAPTALDH1A1
SCHEMBL2484912 0.84 MAPT (0.52) HSD17B10NAPRTPOLBMAPTALDH1A1
SCHEMBL27736457 0.83 HSD17B10 (0.55) HSD17B10NAPRTPOLBMAPTALDH1A1
SCHEMBL7574752 0.81 NPSR1 (0.53) HSD17B10POLBMAPTALDH1A1CYP1A2
SCHEMBL2483519 0.80 FPR2 (0.49) HSD17B10POLBMAPTALDH1A1KDM4E
SCHEMBL146704 0.80 FPR2 (0.49) HSD17B10POLBMAPTALDH1A1KDM4E

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
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed