SCHEMBL28064967

SCHEMBL28064967

O=COCOC(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1816298 0.82 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL845361 0.79 ALDH1A1 (0.40) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL845299 0.78 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL900124 0.76 MAPT (0.70) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18812444 0.75 PDE4D (0.32)
SCHEMBL28251463 0.73 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2794847 0.72 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28501406 0.71 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL15551711 0.70 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28807501 0.70 SMN1; SMN2 (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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-105646637-A Abiraterone derivative, preparation method and medical applications thereof 四川海思科制药有限公司 2016-06-08 CN disclosed