SCHEMBL8893382

SCHEMBL8893382

CCCC#CCC[CH]C#CCCCC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.33
TSHR P16473 1/20 0.32
PTPN7 P35236 3/20 0.31

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
SCHEMBL8385155 0.87 HMGCR (0.44) HMGCRTSHRPTPN7
SCHEMBL8806187 0.84
SCHEMBL5655040 0.84 TSHR (0.36) HMGCRTSHR
SCHEMBL4763127 0.81 HMGCR (0.33) HMGCRTSHR
SCHEMBL5166947 0.79
SCHEMBL56364 0.78
SCHEMBL5166944 0.78
SCHEMBL1533719 0.77 HMGCR (0.42) HMGCRTSHRPTPN7
SCHEMBL2571403 0.77 TSHR (0.38) HMGCRTSHRPTPN7
SCHEMBL3030008 0.76 HMGCR (0.49) HMGCRTSHRPTPN7

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-1997043255-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-20 WO disclosed