SCHEMBL4076964

SCHEMBL4076964

O=C(O)COc1ccc2cc(OCC(=O)O)ccc2c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.85
ALOX15 P16050 2/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MCL1 Q07820 1/20 0.59
LMNA P02545 2/20 0.58
ALDH1A1 P00352 2/20 0.57
CA2 P00918 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FFAR1 O14842 1/20 0.55
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDE2A O00408 1/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
P2RY12 Q9H244 1/20 0.54

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
SCHEMBL25640 0.92 PTPN7 (1.00) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL29367022 0.92 PTPN7 (1.00) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL15201762 0.90 PTPN7 (0.96) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL10299391 0.90 PTPN7 (0.71) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL9714119 0.90 PTPN7 (0.71) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL10902015 0.90 PTPN7 (0.89) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL15201765 0.90 PTPN7 (0.96) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL23832447 0.89 PTPN7 (0.69) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL7422807 0.89 PTPN7 (0.69) PTPN7ALOX15MEN1KMT2AKDM4E
SCHEMBL29843499 0.89 PTPN7 (0.69) PTPN7ALOX15MEN1KMT2AKDM4E

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed