SCHEMBL9039744

SCHEMBL9039744

OCCOC1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
NAAA Q02083 2/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
EPHX1 P07099 2/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL10942317 1.00 NPC1 (0.52) NPC1NAAACA1CA2CA12
SCHEMBL899067 1.00 NPC1 (0.52) NPC1NAAACA1CA2CA12
SCHEMBL28071132 1.00 NPC1 (0.52) NPC1NAAACA1CA2CA12
SCHEMBL28372628 1.00 NPC1 (0.52) NPC1NAAACA1CA2CA12
SCHEMBL321202 0.97
SCHEMBL330971 0.92
Bicarbonate SCHEMBL3831269 0.91 NPC1 (0.45) NPC1NAAACA1CA2EPHX1
SCHEMBL31157721 0.86 MEN1 (0.48) NPC1NAAACA1CA2CA12
SCHEMBL8107558 0.86 MEN1 (0.48) NPC1NAAACA1CA2CA12
SCHEMBL4198829 0.86 MEN1 (0.48) NPC1NAAACA1CA2CA12

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
CN-119970617-A Improved coupling joint 普罗林科斯有限责任公司 2025-05-13 CN disclosed
CN-117098811-A High flux microemulsified membrane 普罗林科斯有限责任公司 2023-11-21 CN disclosed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed
US-4317942-A Odoriferous 2-alkoxyethyl-cycloalkyl-ethers CHEMISCHE WERKE HUELS, AKTIENGESELLSCHAFT (DE) 1982-03-02 US disclosed
EP-0022462-B1 2-ALKOXYETHYL-CYCLOALKYL-ETHERS, COMPOSITIONS CONTAINING THESE, AND THEIR UTILIZATION FOR THE PREPARATION OF ODORANT COMPOSITIONS CHEMISCHE WERKE HÜLS AG (DE) 1981-11-25 EP disclosed
EP-0022462-A1 2-Alkoxyethyl-cycloalkyl-ethers, compositions containing these, and their utilization for the preparation of odorant compositions CHEMISCHE WERKE HÜLS AG (DE) 1981-01-21 EP disclosed