SCHEMBL28065332

SCHEMBL28065332

CCCCc1cc(CO)c(O)c(CCCC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTGS2 P35354 7/20 0.47
CYP3A4 P08684 1/20 0.47
SHBG P04278 1/20 0.44
TYR P14679 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CASP6 P55212 1/20 0.41
ALOX5 P09917 4/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL4458958 0.96 NPC1 (0.53) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11602313 0.95 PTGS2 (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11603259 0.93 PTGS2 (0.56) HTTPTGS2CYP3A4SHBGTYR
SCHEMBL11604891 0.93 PTGS2 (0.56) HTTPTGS2CYP3A4SHBGTYR
SCHEMBL11605059 0.92 KDM4E (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL201692 0.92 NPC1 (0.57) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL10743673 0.90 PTGS2 (0.59) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27977349 0.90 NPC1 (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28215541 0.90 NPC1 (0.55) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28031372 0.90 NPC1 (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105580186-A Solid electrolyte composition, binder for all-solid-state secondary batteries, and electrode sheet for batteries and all-solid-state secondary battery each using said solid electrolyte composition FUJIFILM CORP 2016-05-11 CN disclosed