SCHEMBL321504

SCHEMBL321504

Cc1cccc(OCC(=O)O)c1OCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
GLA P06280 1/20 0.56
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CD69 Q07108 2/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
PTPN1 P18031 1/20 0.50
TSHR P16473 1/20 0.48
NOTUM Q6P988 1/20 0.47
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6743332 0.90 POLB (0.62) L3MBTL1SMN1; SMN2POLBGLAKMT2A
SCHEMBL830740 0.89 KMT2A (0.60) L3MBTL1SMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL1145948 0.87 KMT2A (0.62) L3MBTL1SMN1; SMN2POLBGLAKMT2A
SCHEMBL11556734 0.84 PTPN1 (0.49) L3MBTL1SMN1; SMN2KMT2AALDH1A1PTPN1
SCHEMBL2059383 0.84 POLB (0.58) L3MBTL1SMN1; SMN2POLBGLAKMT2A
SCHEMBL654774 0.83 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2POLBGLAKMT2A
SCHEMBL29966790 0.83 SMN1; SMN2 (0.67) L3MBTL1SMN1; SMN2POLBGLAKMT2A
SCHEMBL28044483 0.82 KMT2A (0.53) L3MBTL1SMN1; SMN2POLBGLAKMT2A
SCHEMBL27918156 0.81 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2POLBGLAKMT2A
Hydrochloric Acid SCHEMBL16239152 0.81 SMN1; SMN2 (0.65) L3MBTL1SMN1; SMN2POLBGLAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590642-A2 PKC ACTIVATORS AND ANTICOAGULANT IN REGIMEN FOR TREATING STROKE Alkon, Daniel L. (US) 2013-05-15 EP disclosed
WO-2012006525-A2 PKC ACTIVATORS AND ANTICOAGULANT IN REGIMEN FOR TREATING STROKE ALKON DANIEL L (US) 2012-01-12 WO disclosed