SCHEMBL9757899

SCHEMBL9757899

CCCCCCCC1(C#N)CCC(C2CCC(O)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.33
GBA1 P04062 2/20 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
SCHEMBL9436003 0.91 GAA (0.36) GAAGBA1
SCHEMBL3528256 0.89 GAA (0.34) GAAGBA1
SCHEMBL9650183 0.86
SCHEMBL9649541 0.86
SCHEMBL9649547 0.86
SCHEMBL9650188 0.86
SCHEMBL9648680 0.85
SCHEMBL9757912 0.85
SCHEMBL9650386 0.85
SCHEMBL9758330 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985583-A Liquid Crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-15 US disclosed
EP-0154849-B1 CYCLOHEXANE DERIVATIVES MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed