SCHEMBL7122689

SCHEMBL7122689

CCCCCCCC#CC(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.42
PTPN7 P35236 4/20 0.41
HMGCR P04035 3/20 0.41
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
SCHEMBL5985617 0.86 HMGCR (0.36) DNM1PTPN7HMGCR
SCHEMBL19432981 0.84 DNM1 (0.39) DNM1HMGCRTDP1TSHR
SCHEMBL157112 0.84 LMNA (0.47) PTPN7HMGCRRECQLTDP1
SCHEMBL25939926 0.83 EPHX1 (0.47) PTPN7HMGCRRECQLTDP1
SCHEMBL28567418 0.83 HMGCR (0.37) PTPN7HMGCRRECQLTDP1
SCHEMBL31230828 0.83 TSHR (0.36) DNM1PTPN7HMGCRTSHR
SCHEMBL8649300 0.81 HMGCR (0.38) PTPN7HMGCRRECQLTDP1
SCHEMBL9626182 0.80 PTPN7 (0.69) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL19434123 0.79 CYP3A4 (0.37) DNM1TDP1TSHR
SCHEMBL60064 0.79 HMGCR (0.40) PTPN7HMGCRRECQLTDP1

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
EP-0918802-B2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2004-10-06 EP claimed
EP-0918802-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL TECHNOLOGY CO BV (NL) 2001-11-14 EP claimed