SCHEMBL6452498

SCHEMBL6452498

C=CCCc1ccc(C#Cc2ccc([C@@H]3CC[C@@H]4CC(CC)CC[C@@H]4C3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.36
▸ SPHK1 Q9NYA1 3/20 0.32

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
SCHEMBL6452504 1.00 ACACB (0.36) ACACBSPHK1
SCHEMBL6452072 0.91 CYP2C9 (0.37) ACACBSPHK1
SCHEMBL6452076 0.91 CYP2C9 (0.37) ACACBSPHK1
SCHEMBL6460278 0.90 SPHK1 (0.33) SPHK1
SCHEMBL6460283 0.90 SPHK1 (0.33) SPHK1
SCHEMBL6457175 0.89 SPHK1 (0.36) ACACBSPHK1
SCHEMBL6457179 0.89 SPHK1 (0.36) ACACBSPHK1
SCHEMBL6453088 0.88 SPHK1 (0.38) ACACBSPHK1
SCHEMBL6453083 0.88 SPHK1 (0.38) ACACBSPHK1
SCHEMBL6459445 0.87 SPHK1 (0.40) ACACBSPHK1

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-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 — — US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 — — EP disclosed
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