SCHEMBL23239690

SCHEMBL23239690

CCCCc1c(F)c(F)c(F)c(F)c1I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL8165780 0.83 NPC1 (0.39) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9503180 0.76 NPC1 (0.35) NPC1HPGDMAPK1HTTRAB9A
Hexane SCHEMBL27851252 0.75 CYP19A1 (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL10446746 0.75 CYP19A1 (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9015819 0.75 NPC1 (0.41) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL19276919 0.74 NPC1 (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL26375129 0.73 TAS1R3 (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27299525 0.73 TSHR (0.42) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL1687611 0.73 TSHR (0.42) HTT
SCHEMBL28164639 0.73 TSHR (0.42) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021070805-A1 PLATE-SHAPED COMPOSITE MATERIAL 日東電工株式会社 2021-04-15 WO disclosed