SCHEMBL21597981

SCHEMBL21597981

CC(=O)Nc1ccc(C2N[C@H](C(=O)O)CO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ KDM4E B2RXH2 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL21597984 0.79 TSHR (0.41) HSD17B10CYP2C19KDM4EL3MBTL1KMT2A
SCHEMBL21597980 0.77 EDNRA (0.42) KDM4ESMN1; SMN2L3MBTL1KMT2APOLB
SCHEMBL9108563 0.69 SMN1; SMN2 (0.52) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL13414995 0.69 SMN1; SMN2 (0.52) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL2970074 0.68 HSD17B10 (0.43) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL16104914 0.67 MAPT (0.54) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL28584612 0.67 NAMPT (0.61) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL5868999 0.67 SLC18A3 (0.63) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL861674 0.67 SMN1; SMN2 (0.84) HSD17B10CYP2C19KDM4ESMN1; SMN2HTT
SCHEMBL22335133 0.65 KDM1A (0.63) HSD17B10SMN1; SMN2L3MBTL1NAPRTKMT2A

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
WO-2019243576-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-12-26 — — WO disclosed
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