SCHEMBL7802593

SCHEMBL7802593

COC=C(Oc1ccc(Br)cc1C(=O)OC)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
SLC6A3 Q01959 1/20 0.38
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
STAT3 P40763 1/20 0.37

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
SCHEMBL7802590 1.00 HSD17B10 (0.50) HSD17B10NR4A2ALDH1A1GAAMAPT
SCHEMBL7801834 0.90 POLB (0.44) HSD17B10ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL7801833 0.90 POLB (0.44) HSD17B10ALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL7801742 0.85 KDM4E (0.47) HSD17B10NR4A2ALDH1A1GAAMAPT
SCHEMBL7805468 0.85 ABL1 (0.46) NR4A2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL7795848 0.85 SMN1; SMN2 (0.42) HSD17B10ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7805464 0.85 ABL1 (0.46) NR4A2ALDH1A1MAPTKMT2AKDM4E
SCHEMBL7795845 0.85 SMN1; SMN2 (0.42) HSD17B10ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7801744 0.85 KDM4E (0.47) HSD17B10NR4A2ALDH1A1GAAMAPT
SCHEMBL22488405 0.82 SMN1; SMN2 (0.36) ALDH1A1GAAMAPTSMN1; SMN2CYP1A2

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-1097117-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2001-05-09 EP disclosed
WO-2000003975-A2 ARYL VINYL ETHER DERIVATIVES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD. (GB) 2000-01-27 WO disclosed