SCHEMBL28866716

SCHEMBL28866716

COc1cccc(CC(N)=O)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
PLA2G2A P14555 2/20 0.42
ICMT O60725 1/20 0.42
NR3C2 P08235 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
IDO1 P14902 1/20 0.41
POLB P06746 1/20 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
SCHEMBL11220923 0.83 PLA2G2A (0.51) L3MBTL1SMN1; SMN2LMNAPLA2G2AMAPT
SCHEMBL1010680 0.81 LMNA (0.64) L3MBTL1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL1029593 0.81 PDE4A (0.45) L3MBTL1SMN1; SMN2LMNAMAPTHSD17B10
SCHEMBL1032325 0.80 CA12 (0.50) L3MBTL1SMN1; SMN2LMNACA12CA1
SCHEMBL505777 0.76 CA1 (0.50) L3MBTL1SMN1; SMN2LMNAMAPTHSD17B10
SCHEMBL26046334 0.76 LMNA (0.47) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL26046399 0.76 ALDH1A1 (0.49) L3MBTL1LMNANR3C2CA12CA1
SCHEMBL431188 0.75 GABRA1 (0.45) PLA2G2AICMTKDM4ECA2
SCHEMBL9003109 0.75 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL9003104 0.75 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2LMNAMAPTKDM4E

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-108884044-A PIPERIDINE DERIVATIVE 大塚制药株式会社 2018-11-23 CN disclosed