SCHEMBL29013137

SCHEMBL29013137

COC(C)NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
MMP2 P08253 2/20 0.33
CA9 Q16790 2/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DPP4 P27487 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL5478634 0.98 GAA (0.41) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL11028431 0.78 ALDH1A1 (0.39) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL19350483 0.78 ALDH1A1 (0.39) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL3965130 0.78 KDM4E (0.41) KDM4E
SCHEMBL7031697 0.77 ALDH1A1 (0.52) L3MBTL1ALDH1A1HSD17B10ATMNPSR1
SCHEMBL19966112 0.76 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL18844888 0.76 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL19705361 0.76 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL22369902 0.76 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM
SCHEMBL278463 0.76 ALDH1A1 (0.47) GAAL3MBTL1ALDH1A1HSD17B10ATM

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
CN-116075537-A Solvent for resin synthesis and method for producing synthetic resin using the same 科巨希化学股份有限公司 2023-05-05 CN disclosed