SCHEMBL9248679

SCHEMBL9248679

C=CCC1CC(C)(C)CCC1OCCCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.37

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
SCHEMBL9248681 1.00 GBA1 (0.37) GBA1
SCHEMBL9241766 0.86 GBA1 (0.37) GBA1
SCHEMBL9241761 0.86 GBA1 (0.37) GBA1
SCHEMBL9246821 0.86 GBA1 (0.37) GBA1
SCHEMBL8717990 0.82 GBA1 (0.44) GBA1
SCHEMBL9248113 0.82 GBA1 (0.44) GBA1
SCHEMBL9243674 0.77 GBA1 (0.42) GBA1
SCHEMBL9250532 0.77 GBA1 (0.42) GBA1
SCHEMBL9243873 0.74 HTT (0.43) GBA1
SCHEMBL9567721 0.74 HTR2C (0.41) GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449785-A Fungicides with triazole groups HOFFMANN-LA ROCHE INC. (US) 1995-09-12 US disclosed
EP-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 EP disclosed