SCHEMBL28568930

SCHEMBL28568930

[CH2]CN(C(=O)OCC)N1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 2/20 0.35
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL9013395 0.76 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRGAALMNA
SCHEMBL10507947 0.70 ALDH1A1 (0.43) ALDH1A1POLBTSHRGAALMNA
SCHEMBL771088 0.69
SCHEMBL4588339 0.67 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2TSHRGAA
SCHEMBL7441312 0.67 GAA (0.39) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL7438590 0.65 ALDH1A1 (0.38) ALDH1A1POLBHTTSMN1; SMN2TSHR
SCHEMBL1041195 0.65
SCHEMBL4880204 0.65 ALDH1A1 (0.48) ALDH1A1POLBTSHRGAALMNA
SCHEMBL27802912 0.64 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRGAALMNA
SCHEMBL11648463 0.64 ALDH1A1 (0.53) ALDH1A1POLBTSHRGAALMNA

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-107406723-B Addition-fragmentation oligomers 3M创新有限公司 2021-05-07 CN disclosed