SCHEMBL10344209

SCHEMBL10344209

CCCCc1c(F)c(F)c(F)c(F)c1CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.40
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
TYR P14679 1/20 0.31
CYP19A1 P11511 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
SCHEMBL10343908 0.91 GCGR (0.42) GCGRALDH1A1KDM4ECYP19A1
SCHEMBL10989730 0.88 GCGR (0.41) GCGRNPC1HPGDMAPK1HTT
SCHEMBL10344205 0.86 GCGR (0.37) GCGR
SCHEMBL8165780 0.83 NPC1 (0.39) GCGRNPC1HPGDMAPK1HTT
SCHEMBL27843325 0.78 ESR1 (0.39) GCGRHTTRAB9ANPSR1HCAR2
SCHEMBL522840 0.77 SMN1; SMN2 (0.30)
SCHEMBL9503180 0.76 NPC1 (0.35) GCGRNPC1HPGDMAPK1HTT
SCHEMBL5592696 0.76 HPGD (0.45) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5589084 0.76 HPGD (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5590008 0.76 HPGD (0.41) NPC1HPGDMAPK1HTTRAB9A

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
EP-0221635-B1 FLUORO ALCOHOLS AND INSECTICIDAL ESTERS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-14 EP disclosed
US-4714790-A Fluoro alcohols and insecticidal esters thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-22 US disclosed
EP-0221635-A1 Fluoro alcohols and insecticidal esters thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-05-13 EP disclosed