SCHEMBL22282172

SCHEMBL22282172

CCN(CC)CCSCCCC(C)(O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC2A1 P11166 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
SCHEMBL950901 0.76 SLC2A1 (0.37) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL968396 0.70 TDP1 (0.50) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL24299500 0.69 SLC2A1 (0.33) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL17515587 0.69 CHRM2 (0.32) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL26512365 0.68 PLA2G1B (0.34) SIGMAR1SLC2A1
SCHEMBL24333562 0.68
SCHEMBL950518 0.68 SLC2A1 (0.32) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL5002428 0.67 MEN1 (0.34) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL3856623 0.66 SIGMAR1 (0.44) SIGMAR1CHRM2CHRM1SLC2A1
SCHEMBL11260442 0.66 CYP1A2 (0.32) SLC2A1

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-2020152037-A1 RADIATION CURABLE INKJET INKS FOR INTERIOR DECORATION AGFA NV (BE) 2020-07-30 WO disclosed