SCHEMBL6037353

SCHEMBL6037353

CCCCC#CC#CC#CC#CCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.54
PTPN7 P35236 5/20 0.48
TSHR P16473 3/20 0.45
SELP P16109 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL302816 0.97 HMGCR (0.56) HMGCRPTPN7TSHRSELPLMNA
SCHEMBL11372624 0.93 HMGCR (0.54) HMGCRPTPN7TSHRSELPLMNA
SCHEMBL31404952 0.88 HMGCR (0.50) HMGCRPTPN7TSHRSELPLMNA
SCHEMBL9616121 0.88 HMGCR (0.61) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL4009864 0.88 HMGCR (0.61) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL9478127 0.88 HMGCR (0.61) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL17965814 0.88 HMGCR (0.61) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL4595942 0.87 HMGCR (0.60) HMGCRPTPN7TSHRSELPTHRB
SCHEMBL15766347 0.87 HMGCR (0.50) HMGCRPTPN7TSHRSELPKDM4E
SCHEMBL19148481 0.87 HMGCR (0.50) HMGCRPTPN7TSHRSELPALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223947-A1 Chemical synthesis of polymeric nanomaterials and carbon nanomaterials THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-10-05 US claimed
US-20060223947-A1 Chemical synthesis of polymeric nanomaterials and carbon nanomaterials THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-10-05 US disclosed