SCHEMBL8645558

SCHEMBL8645558

CCCCc1c(Cl)c(CCCC)c(CCCC)c(Cl)c1CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.45
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 4/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CTRC Q99895 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
THRB P10828 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL11814122 0.85 TYMP (0.43) TYMPNPC1HPGDMAPK1HTT
SCHEMBL18602092 0.80 TYMP (0.41) TYMPNPC1HPGDMAPK1HTT
SCHEMBL4633204 0.79 NPC1 (0.48) TYMPNPC1HPGDMAPK1HTT
SCHEMBL5586732 0.78 HPGD (0.45) TYMPNPC1HPGDMAPK1HTT
SCHEMBL5589634 0.78 HPGD (0.41) TYMPNPC1HPGDMAPK1HTT
SCHEMBL5586631 0.78 HPGD (0.41) TYMPNPC1HPGDMAPK1HTT
SCHEMBL27951398 0.77 DPP4 (0.37) TYMPHPGDTSHRLMNATDP1
SCHEMBL11781693 0.76 TYMP (0.38) TYMPNPC1HPGDMAPK1HTT
SCHEMBL5589567 0.75 HPGD (0.42) TYMPNPC1HPGDMAPK1HTT
SCHEMBL10446044 0.75 HTT (0.42) TYMPNPC1HPGDMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513730-B1 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM CO (US) 1998-08-26 EP disclosed
EP-0487103-B1 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM CO (US) 1996-01-10 EP disclosed
US-5364928-A Reaction of sulfide, cyclic amide and dihaloaromatic with separation by addition of aqueous alkali metal carboxylate PHILLIPS PETROLEUM COMPANY (US) 1994-11-15 US disclosed
US-5239050-A PROCESS FOR PREPARING ARYLENE SULFIDE POLYMER WITH ADDITION OF AQUEOUS ALKALI METAL CARBOXYLATE PRIOR TO TERMINATION OF POLYMERIZATION PHILLIPS PETROLEUM COMPANY (US) 1993-08-24 US disclosed
EP-0534359-A1 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1993-03-31 EP disclosed
US-5175243-A Reaction of a sulfur source and a dihalobenzene in cyclic amide PHILLIPS PETROLEUM COMPANY (US) 1992-12-29 US disclosed
EP-0513730-A2 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1992-11-19 EP disclosed
US-5159056-A Preparation of arylene sulfide polymer in the presence of titanium dioxide PHILLIPS PETROLEUM COMPANY (US) 1992-10-27 US disclosed
EP-0487103-A1 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1992-05-27 EP disclosed
EP-0486014-A1 Process for preparing arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1992-05-20 EP disclosed
US-5115093-A Reaction of a dihaloaromatic with sulfide in the presence of an olefin to control molecular weight and for extrusion PHILLIPS PETROLEUM COMPANY (US) 1992-05-19 US disclosed
US-5064936-A Process for preparing high extrusion rate arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1991-11-12 US disclosed
US-4882416-A FILTRATION, HEAT RESISTANCE, POLYPHENYLENE SULFIDE PHILLIPS PETROLEUM COMPANY (US) 1989-11-21 US disclosed
EP-0280271-A2 Arylene sulfide polymers PHILLIPS PETROLEUM COMPANY (US) 1988-08-31 EP disclosed