SCHEMBL7199095

SCHEMBL7199095

CCCCc1c[pH]c(CCCC)c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TYR P14679 2/20 0.34
CTRC Q99895 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL2971191 0.79 NPC1 (0.34) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL2972410 0.79 HTT (0.38) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL4633219 0.69 TYR (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL30044969 0.69 TYR (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL4632556 0.67 HTT (0.46) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL4633204 0.66 NPC1 (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL819273 0.65 LIPG (0.45) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL6413165 0.65 CTRC (0.43) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL11682168 0.65 TYR (0.50) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28184330 0.64 SKP2 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481760-B1 INITIATOR SYSTEM FOR CATIONIC POLYMERIZATION AND POLYMERIZATION METHOD USING SAME CHINA PETROLEUM & CHEM CORP (CN) 2021-05-05 EP claimed
EP-0963761-B1 Biomedical devices with hydrophilic coatings JOHNSON & JOHNSON VISION CARE (US) 2003-10-29 EP claimed
EP-3271368-B1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2018-10-31 EP disclosed
EP-3271368-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2018-01-24 EP disclosed
WO-2017121969-A1 NOVEL PHOSPHINANE AND AZAPHOSPHINANE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2017-07-20 WO disclosed