SCHEMBL11174692

SCHEMBL11174692

C=CCCC(=O)C1=CCC(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FAAH O00519 3/20 0.31
▸ NPC1 O15118 1/20 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
SCHEMBL5708357 0.86 MEN1 (0.32) MEN1KMT2A
SCHEMBL112059 0.84 MEN1 (0.33) MEN1KMT2AFAAH
SCHEMBL7776586 0.78 — —
SCHEMBL21189905 0.76 FAAH (0.31) FAAH
SCHEMBL11378755 0.76 MEN1 (0.32) MEN1KMT2AFAAH
SCHEMBL7771819 0.76 POLB (0.32) MEN1KMT2A
SCHEMBL11973867 0.75 NPC1 (0.31) FAAHNPC1
SCHEMBL29487265 0.75 NPC1 (0.31) FAAHNPC1
SCHEMBL11373913 0.75 FAAH (0.31) FAAH
SCHEMBL11369860 0.75 MEN1 (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4372881-A CYCLOHEPTADIENYL PENTENONE FIRMENICH SA (CH) 1983-02-08 — — US disclosed
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