SCHEMBL5138900

SCHEMBL5138900

CCCCCC(C)(C=O)CC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
FDPS P14324 11/20 0.35
GGPS1 O95749 7/20 0.35
EPHX1 P07099 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL6796097 0.98 TSHR (0.41) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL6792415 0.98 TSHR (0.41) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL6797613 0.98 TSHR (0.41) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL6797179 0.98 TSHR (0.41) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL6798591 0.98 TSHR (0.41) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL276807 0.93 TSHR (0.36) TSHRFDPSEPHX1ADH1BADH1C
SCHEMBL9245830 0.88 TSHR (0.39) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL9220588 0.88 TSHR (0.44) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL10304506 0.86 TSHR (0.37) TSHRFDPSGGPS1EPHX1ADH1B
SCHEMBL28358059 0.86 TSHR (0.37) TSHRFDPSGGPS1EPHX1ADH1B

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-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed