SCHEMBL28297075

SCHEMBL28297075

O=C(O)C[C@@H](C(=O)O)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
OPRD1 P41143 4/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SLC6A4 P31645 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7317195 1.00 HSD17B10 (0.38) HSD17B10SIGMAR1OPRD1POLBMAPK1
Hydrochloric Acid SCHEMBL4230913 0.98 HSD17B10 (0.37) HSD17B10SIGMAR1OPRD1POLBMAPK1
SCHEMBL29373160 0.98 HSD17B10 (0.37) HSD17B10SIGMAR1OPRD1POLBMAPK1
SCHEMBL4372205 0.98 HSD17B10 (0.37) HSD17B10SIGMAR1OPRD1POLBMAPK1
SCHEMBL30914551 0.98 HSD17B10 (0.37) HSD17B10SIGMAR1OPRD1POLBMAPK1
SCHEMBL31190924 0.88 SIGMAR1 (0.37) HSD17B10SIGMAR1OPRD1POLBMAPK1
SCHEMBL12768265 0.87 CHRM5 (0.40) HSD17B10SIGMAR1POLBMAPK1
SCHEMBL8562008 0.85 HSD17B10 (0.43) HSD17B10POLBMAPK1L3MBTL1TDP1
SCHEMBL17706711 0.85 HSD17B10 (0.43) HSD17B10POLBMAPK1L3MBTL1TDP1
SCHEMBL11713448 0.85 HSD17B10 (0.43) HSD17B10POLBMAPK1L3MBTL1TDP1

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
CN-109730199-B Application of 2-cyclic amino fatty diacid derivative in preparation of animal feed additive 广州英赛特生物技术有限公司 2022-06-24 CN claimed
CN-109730199-B Application of 2-cyclic amino fatty diacid derivative in preparation of animal feed additive 广州英赛特生物技术有限公司 2022-06-24 CN disclosed
CN-109730199-A 2- ring type amidogen fat diacid derivative is preparing the application in animal feed additive 广州英赛特生物技术有限公司 2019-05-10 CN disclosed