SCHEMBL31098657

SCHEMBL31098657

OCCNC1CCSCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.34
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 1/20 0.31
CXCR4 P61073 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
SCHEMBL27945117 0.86
SCHEMBL701060 0.82
SCHEMBL18045582 0.82 SPHK1 (0.42) SPHK1KDM1AKDM4ECXCR4
Bromide SCHEMBL2833578 0.79
SCHEMBL3429410 0.77
SCHEMBL1484842 0.77
SCHEMBL7994404 0.76 GNAI3 (0.38) KDM4E
SCHEMBL7113872 0.75 KDM4E (0.50) KDM4ECXCR4
SCHEMBL11461187 0.75 KDM4E (0.50) KDM4ECXCR4
SCHEMBL1153406 0.75 KDM4E (0.50) KDM4ECXCR4

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-2024196978-A2 SULFONIUM COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2024-09-26 WO disclosed