SCHEMBL6037397

SCHEMBL6037397

COC(=O)CCCC#CC#C[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
PTPN7 P35236 1/20 0.39
GLA P06280 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HMGCR P04035 2/20 0.35
PPARG P37231 4/20 0.34
PPARA Q07869 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SELP P16109 1/20 0.33
PTGER3 P43115 1/20 0.32

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
SCHEMBL18191271 0.85 TSHR (0.58) TSHRPTPN7GLAALDH1A1LMNA
SCHEMBL18191267 0.81 TSHR (0.41) TSHRPTPN7GLAALDH1A1LMNA
SCHEMBL16201810 0.81 TSHR (0.48) TSHRPTPN7ALDH1A1LMNAHMGCR
SCHEMBL18263707 0.76 PTPN7 (0.64) TSHRPTPN7ALDH1A1HMGCRPPARG
SCHEMBL15284077 0.75 TSHR (0.57) TSHRPTPN7GLAALDH1A1LMNA
SCHEMBL940491 0.74 HMGCR (0.66) TSHRPTPN7HMGCRSELP
SCHEMBL9607107 0.74 TSHR (0.48) TSHRPTPN7ALDH1A1LMNAHMGCR
SCHEMBL21544536 0.74 HMGCR (0.66) TSHRPTPN7HMGCRSELP
SCHEMBL11311701 0.74 HMGCR (0.66) TSHRPTPN7ALDH1A1LMNAHMGCR
SCHEMBL940458 0.74 HMGCR (0.66) TSHRPTPN7HMGCRSELP

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