SCHEMBL28297074

SCHEMBL28297074

O=C(O)CC[C@@H](C(=O)O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
DPP7 Q9UHL4 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41
APEX1 P27695 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPM1B O75688 1/20 0.41
TET2 Q6N021 3/20 0.40
KDM4A O75164 2/20 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
SCHEMBL10830109 0.98 CYP1A2 (0.45) CYP1A2DPP7MAPK1SMN1; SMN2CYP2C19
SCHEMBL31222658 0.90 CYP1A2 (0.48) CYP1A2MAPK1CYP2C19KDM4EALDH1A1
SCHEMBL5552004 0.90 CYP1A2 (0.48) CYP1A2MAPK1CYP2C19KDM4EALDH1A1
SCHEMBL30141848 0.90 CYP1A2 (0.48) CYP1A2MAPK1CYP2C19KDM4EALDH1A1
SCHEMBL31190187 0.86 SIGMAR1 (0.39) CYP1A2DPP7MAPK1SMN1; SMN2CYP2C19
SCHEMBL31190189 0.86 SIGMAR1 (0.39) CYP1A2DPP7MAPK1SMN1; SMN2CYP2C19
SCHEMBL4598928 0.85 CYP1A2 (0.46) CYP1A2DPP7MAPK1SMN1; SMN2ALDH1A1
SCHEMBL10305355 0.84 CYP1A2 (0.43) CYP1A2MAPK1CYP2C19KDM4EALDH1A1
SCHEMBL14547871 0.84 CYP1A2 (0.43) CYP1A2MAPK1CYP2C19KDM4EALDH1A1
SCHEMBL2453621 0.82 KMT2A (0.45) DPP7SLC6A2SLC6A3SLC6A4

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 4 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-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 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