SCHEMBL8729962

SCHEMBL8729962

CCOP(=O)(COS(=O)(=O)c1cc(F)ccc1F)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PTPN1 P18031 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
PKM P14618 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
SCHEMBL8730063 0.91 PSEN1 (0.34) KAT6AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8729859 0.90 KAT6A (0.38) KAT6AALDH1A1KDM4ECA12CA1
SCHEMBL8732824 0.88 SMN1; SMN2 (0.34) KAT6AKDM4EPSEN1PSEN2APH1B
SCHEMBL8735640 0.84 KAT6A (0.34) KAT6AKDM4EPSEN1PSEN2APH1B
SCHEMBL8732898 0.83 PSEN1 (0.33) KAT6AALDH1A1KDM4EPSEN1PSEN2
SCHEMBL8734626 0.82
SCHEMBL8732799 0.81
SCHEMBL8729884 0.80
SCHEMBL8731807 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8729942 0.79 CA12 (0.30) CA12CA1CA2CA9

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