SCHEMBL8601518

SCHEMBL8601518

CC(Oc1cc(N=C=S)c(F)cc1Cl)C(=O)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPOX P50336 6/20 0.45
SCN9A Q15858 2/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP19A1 P11511 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8602458 0.96 PPOX (0.44) PPOXSCN9AHPGDSMN1; SMN2MAPT
SCHEMBL8603603 0.83 MAPT (0.39) PPOXHPGDSMN1; SMN2MAPTLMNA
SCHEMBL8599592 0.82 PPOX (0.38) PPOXHPGDSMN1; SMN2MAPTLMNA
SCHEMBL8600830 0.81 PPOX (0.51) PPOXHPGDSMN1; SMN2MAPTLMNA
SCHEMBL8599002 0.81 SCN9A (0.34) PPOXSCN9AHPGDPOLBSMN1; SMN2
SCHEMBL8599137 0.81 KDM4E (0.42) PPOXHPGDPTGDR2PTGDRGAA
SCHEMBL8598865 0.81 PPOX (0.37) PPOXHPGD
SCHEMBL8601499 0.80 PTGS1 (0.32) PPOXHPGDPOLBPTGS1PTGS2
SCHEMBL8603210 0.80 PPOX (0.49) PPOXSCN9AHPGDPOLBPTGS1
SCHEMBL8600214 0.79 PPOX (0.44) PPOXHPGDSMN1; SMN2LMNANPC1

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-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed