SCHEMBL9888304

SCHEMBL9888304

CCC1CC(O)OC(C)C1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
TSHR P16473 1/20 0.31
FUCA1 P04066 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL9888340 1.00 CHRM5 (0.31) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10477558 0.81 FUCA1 (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL10477567 0.81 FUCA1 (0.37) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL7352844 0.80 MGAM (0.31) MGAMGAASIMGAM2
SCHEMBL19891156 0.76
SCHEMBL14882862 0.75
SCHEMBL14883078 0.74 CA1 (0.39) CHRM5CHRM1CHRM3CHRM2CHRM4
SCHEMBL29347457 0.73
SCHEMBL9787225 0.73
SCHEMBL23097490 0.72 CHRM5 (0.35) CHRM5CHRM1CHRM3CHRM2CHRM4

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-2012074547-A2 STEROID COMPOUNDS AS RORγt MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2012-06-07 WO disclosed