SCHEMBL9243767

SCHEMBL9243767

CC[S+](Cc1ccccc1)c1ccc(O)cc1.F[B-](F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
ESR1 P03372 3/20 0.33
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
TP53 P04637 1/20 0.32
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 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
Hydrochloric Acid SCHEMBL9240522 0.92 LMNA (0.39) LMNAFNTAFNTBCYP1A2PTGS1
SCHEMBL154781 0.82 LMNA (0.45) LMNAFNTAFNTBCYP1A2PTGS1
Hydrochloric Acid SCHEMBL9330714 0.81 LMNA (0.44) LMNAFNTAFNTBCYP1A2PTGS1
SCHEMBL4852324 0.80 MMP3 (0.42) LMNAFNTAFNTBCYP1A2PTGS1
SCHEMBL9357293 0.77 CALM1 (0.36) TP53TDP1
SCHEMBL4620715 0.75 LTA4H (0.49) SLC6A2SLC6A3ESR1TP53OPRK1
SCHEMBL31461091 0.74 ESR1 (0.42) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8046128 0.74 ESR1 (0.41) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8757698 0.72 CYP1A2 (0.37) LMNAFNTAFNTBCYP1A2PTGS1
SCHEMBL155778 0.72 MMP3 (0.43) LMNAFNTAFNTBCYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399596-A Cationic polymerization, production of epoxy resins, polystyrene, polyorthoesters, polyorthocarbonates SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1995-03-21 US disclosed
EP-0331496-B1 POLYFLUORIDE SULFONIUM COMPOUNDS AND POLYMERIZATION INITIATOR THEREOF SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1992-09-16 EP disclosed
EP-0331496-A1 Polyfluoride sulfonium compounds and polymerization initiator thereof SANSHIN KAGAKU KOGYO CO., LTD. (JP) 1989-09-06 EP disclosed