SCHEMBL30772480

SCHEMBL30772480

C#CC#CC#CC#CCCCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.52
PTPN7 P35236 4/20 0.52
SELP P16109 1/20 0.42
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL10940799 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL18191264 1.00 HMGCR (0.52) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9627027 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL9627770 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL28576660 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL6037469 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL6567955 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL30028532 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL22115926 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL30027900 0.91 HMGCR (0.50) HMGCRPTPN7SELPRECQLTDP1

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
US-20240100018-A1 COMPOUNDS FOR THE TREATMENT OF A DISEASE OR DISORDER, METHODS FOR IDENTIFYING SAID COMPOUNDS CEDARS-SINAI MEDICAL CENTER 2024-03-28 US disclosed