SCHEMBL10536786

SCHEMBL10536786

C=CCCOCC1CCC([C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TLR4 O00206 2/20 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
SCHEMBL10536790 1.00 TSHR (0.30) TSHRTLR4
SCHEMBL10534835 0.89 TSHR (0.35) TSHR
SCHEMBL10534839 0.89 TSHR (0.35) TSHR
SCHEMBL9645775 0.87 TSHR (0.30) TSHR
SCHEMBL9406493 0.87 TSHR (0.30) TSHR
SCHEMBL9406497 0.87 TSHR (0.30) TSHR
SCHEMBL9647107 0.84 TSHR (0.34) TSHR
SCHEMBL9647083 0.84 TSHR (0.34) TSHR
SCHEMBL9647097 0.84 TSHR (0.34) TSHR
SCHEMBL9406415 0.83 ALDH1A1 (0.39) TLR4

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-1989011496-A1 SIDE-CHAIN POLYMERS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-30 WO disclosed