SCHEMBL17414599

SCHEMBL17414599

CCCOc1cc(OCC)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
PLA2G2A P14555 1/20 0.49
KMT2A Q03164 2/20 0.47
PLK1 P53350 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL25659599 0.95 MAPT (0.55) MAPTPLA2G2AKMT2APLK1RAB9A
SCHEMBL19999965 0.91 MAPT (0.55) MAPTPLA2G2AKMT2APLK1RAB9A
SCHEMBL11171580 0.91 KDM4E (0.50) MAPTKMT2APLK1RAB9AKDM4E
SCHEMBL3176817 0.88 KDM4E (0.54) MAPTKMT2APLK1RAB9AKDM4E
SCHEMBL5222156 0.86 MAPT (0.50) MAPTPLA2G2AKMT2APLK1RAB9A
SCHEMBL2650746 0.85 CA12 (0.59) MAPTPLA2G2AKMT2APLK1RAB9A
SCHEMBL3858281 0.85 PLA2G2A (0.59) MAPTPLA2G2AKMT2APLK1RAB9A
SCHEMBL16898021 0.85 NOTUM (0.50) MAPTPLA2G2AKMT2APLK1RAB9A
SCHEMBL731189 0.84 MAPT (0.47) MAPTKMT2APLK1RAB9AKDM4E
SCHEMBL5225611 0.84 ALDH1A1 (0.49) MAPTPLA2G2AKMT2APLK1RAB9A

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
WO-2016004093-A2 THERAPEUTIC COMPOSITIONS INCLUDING GALECTIN-3 INHIBITORS AND USES THEREOF STEALTH BIOTHERAPEUTICS CORP (MC) 2016-01-07 WO disclosed