SCHEMBL4009864

SCHEMBL4009864

CCCCC#CC#CCCCCCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.61
PTPN7 P35236 4/20 0.61
SELP P16109 1/20 0.48
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL17965814 1.00 HMGCR (0.61) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL9744103 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL9744844 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL9743665 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL5184571 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL3426230 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL9744189 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL5973569 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL2555532 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB
SCHEMBL9743865 0.97 HMGCR (0.64) HMGCRPTPN7SELPTSHRTHRB

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-2009081385-A2 THERMOPLASTIC MATERIAL COMPRISING POLYCHROMIC SUBSTANCES THE PROCTER & GAMBLE COMPANY (US) 2009-07-02 WO disclosed