SCHEMBL9436003

SCHEMBL9436003

CCCCCCCC1(C#N)CCC(O)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
GBA1 P04062 3/20 0.35

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
SCHEMBL3528256 0.98 GAA (0.34) GAAGBA1
SCHEMBL9757899 0.91 GAA (0.33) GAAGBA1
SCHEMBL9646487 0.85 NPC1 (0.34)
SCHEMBL9646482 0.85 NPC1 (0.34)
SCHEMBL9646492 0.85 NPC1 (0.34)
SCHEMBL10775989 0.84 GAA (0.30) GAA
SCHEMBL24308962 0.83 TSHR (0.36) GAA
SCHEMBL23572529 0.83 TSHR (0.36) GAA
SCHEMBL10775981 0.83
SCHEMBL3413093 0.81 TSHR (0.35) GAA

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-0233267-B1 SMECTIC CRYSTAL PHASES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5075032-A Electrooptics, switches, displays MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-12-24 US disclosed
US-4886620-A Smectic liquid-crystalline phases MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-12-12 US disclosed
EP-0233267-A1 SMECTIC CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1987-08-26 EP disclosed
WO-1987001717-A2 SMECTIC CYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 WO disclosed