SCHEMBL28166355

SCHEMBL28166355

CC(=O)CC(=O)OCC=C(C)N1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL27965527 1.00 MGAM (0.36) MGAMGAASIMGAM2USP2
SCHEMBL5796636 0.74 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28060046 0.71 GAA (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27842025 0.71 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27281883 0.71 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27752668 0.70 GAA (0.36) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28228142 0.69 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1617620 0.69 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28093614 0.69 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9510650 0.69 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1

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-103857681-B It is used as the new big ring of factor XI, plasma thromboplastin antecedent A inhibitor 百时美施贵宝公司 2017-07-14 CN disclosed