SCHEMBL9548439

SCHEMBL9548439

CCCCCCCC#CC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 4/20 0.42
HMGCR P04035 2/20 0.42
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 2/20 0.36
SLC22A1 O15245 1/20 0.36
FAAH O00519 4/20 0.35
CES1 P23141 3/20 0.35
CES2 O00748 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
SCHEMBL2043689 1.00 PTPN7 (0.42) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL8024226 0.98 LMNA (0.39) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL23034432 0.84 LMNA (0.41) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL15506096 0.82 PTPN7 (0.39) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL25735589 0.82 PTPN7 (0.39) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL23015071 0.81 LMNA (0.32) LMNA
SCHEMBL23014741 0.80 CES1 (0.36) LMNAFAAHCES1CES2
SCHEMBL23014991 0.80 CES2 (0.37) THRBLMNACES1CES2
SCHEMBL23034420 0.78 LMNA (0.44) PTPN7HMGCRRECQLTDP1TSHR
SCHEMBL28926115 0.78 LMNA (0.44) PTPN7HMGCRRECQLTDP1TSHR

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
EP-0330491-B1 NOVEL LIQUID CRYSTAL COMPOUNDS Showa Shell Sekiyu Kabushiki Kaisha (JP) 1993-04-28 EP claimed