SCHEMBL8599131

SCHEMBL8599131

CCC(C)Oc1cc(N)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.39
NPC1 O15118 1/20 0.37
MCHR1 Q99705 1/20 0.36
CSNK2A1 P68400 2/20 0.34
PPOX P50336 2/20 0.34
DHODH Q02127 4/20 0.34
GAA P10253 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
SCHEMBL9734857 0.86 EGFR (0.36) NPC1CSNK2A1PPOXGAA
SCHEMBL30902518 0.85 NPC1 (0.53) SLC2A1NPC1MCHR1CSNK2A1GAA
SCHEMBL10424474 0.85 SLC2A1 (0.41) SLC2A1NPC1MCHR1CSNK2A1GAA
SCHEMBL4678114 0.83 PPOX (0.45) NPC1CSNK2A1PPOXGAA
SCHEMBL9769674 0.82 MAOA (0.36) NPC1CSNK2A1PPOXGAA
SCHEMBL20149219 0.81 MCHR1 (0.39) SLC2A1MCHR1DHODH
SCHEMBL8879333 0.80 NPC1 (0.43) NPC1CSNK2A1PPOXGAA
SCHEMBL8602520 0.79 CUL4A (0.33) NPC1PPOXDHODHGAA
SCHEMBL8598809 0.78 TLR8 (0.42) NPC1MCHR1PPOXGAA
SCHEMBL10811265 0.78 NPC1 (0.38) NPC1PPOXGAA

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 8 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
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed