SCHEMBL807157

SCHEMBL807157

COc1cc2c(cc1OC)OCCN(C(=O)C(=O)O)C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.45
GPR142 Q7Z601 1/20 0.43
RYR2 Q92736 2/20 0.42
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MDM2 Q00987 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL807160 0.89 RYR2 (0.44) RIPK1GPR142RYR2KMT2AKDM4E
SCHEMBL807044 0.81 RYR2 (0.58) RIPK1GPR142RYR2
SCHEMBL806996 0.71 RYR2 (0.60) RIPK1GPR142RYR2
SCHEMBL10070995 0.70 RIPK1 (0.48) RIPK1GPR142RYR2
SCHEMBL2812377 0.70 ABHD6 (0.55) KMT2AKDM4EHSD17B10ALOX15NPC1
SCHEMBL3808847 0.68 GPR142 (0.51) RIPK1GPR142
SCHEMBL2873071 0.67 MAPK1 (0.65) KMT2AKDM4EHSD17B10ALOX15NPC1
SCHEMBL22782412 0.67 HRH3 (0.68) KMT2AKDM4EHSD17B10ALOX15NPC1
SCHEMBL16284216 0.67 ABHD6 (0.55) KMT2AKDM4EHSD17B10ALOX15NPC1
SCHEMBL10069970 0.66 AKR1C3 (0.55) RIPK1GPR142RYR2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037105-A1 METHODS OF TREATING, AMELIORATING OR PREVENTING STRESS-INDUCED NEURONAL DISORDERS AND DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO disclosed
WO-2012019076-A1 COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed