SCHEMBL8734825

SCHEMBL8734825

CCOP(=O)(COS(=O)(=O)c1c(Cl)cccc1C(C)C)OCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PTK2 Q05397 1/20 0.30

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
SCHEMBL8731819 0.93 ELANE (0.32) ELANEHSD17B10MEN1KMT2A
SCHEMBL8732281 0.89 ELANE (0.33) ELANEHSD17B10MEN1KMT2AKDM4E
SCHEMBL8732012 0.88 HSD17B10 (0.35) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL8763777 0.88
SCHEMBL8734635 0.86 TSHR (0.34)
SCHEMBL8764040 0.84 NR1H4 (0.30)
SCHEMBL8734615 0.84 HSD17B10 (0.34) HSD17B10MEN1KMT2AKDM4EALDH1A1
SCHEMBL8731811 0.83 SMN1; SMN2 (0.37) ELANEKMT2A
SCHEMBL8764108 0.83 CYP1A2 (0.31) ALDH1A1LMNA
SCHEMBL8734627 0.83 SLC40A1 (0.33) HSD17B10MEN1KMT2AKDM4EALDH1A1

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
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed