SCHEMBL22683341

SCHEMBL22683341

CCCCCCCCCCCCCCCCC(C)C(=O)NCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.47
GNAO1 P09471 1/20 0.47
GNAI1 P63096 1/20 0.47
EPHX2 P34913 1/20 0.46
RRM1 P23921 1/20 0.45
DPP7 Q9UHL4 2/20 0.45
CNR1 P21554 1/20 0.45
CA1 P00915 2/20 0.43
MMP8 P22894 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
EPHX1 P07099 4/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6856628 1.00 GNAI3 (0.47) GNAI3GNAO1GNAI1EPHX2RRM1
SCHEMBL15368075 0.98 DPP7 (0.46) GNAI3GNAO1GNAI1EPHX2RRM1
SCHEMBL5151784 0.92 EPHX2 (0.59) EPHX2CNR1
SCHEMBL5617374 0.91 EPHX2 (0.58) EPHX2CNR1
SCHEMBL20353951 0.88 CNR1 (0.45) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL12406639 0.87 BLM (0.37) GNAI3GNAO1GNAI1EPHX2DPP7
SCHEMBL28052266 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL28052076 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL14874696 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1RRM1DPP7
SCHEMBL28285001 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1RRM1DPP7

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-3532022-B1 COMPOSITION COMPRISING AT LEAST TWO FATTY ACID ESTERS OF (POLY)GLYCEROL, AND USE THEREOF IN COSMETICS OREAL (FR) 2020-11-25 EP claimed