SCHEMBL15727985

SCHEMBL15727985

CC1CCC(C)(C)C(=O)C1(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL15727975 0.81 MEN1 (0.30) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL15727974 0.77 — —
SCHEMBL15727977 0.74 — —
SCHEMBL9318610 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL9318732 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5150371 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5153368 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5150391 0.71 CYP2C19 (0.31) —
SCHEMBL5150383 0.71 CYP2C19 (0.31) —
SCHEMBL5153522 0.71 CYP2C19 (0.31) —

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
WO-2014075874-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-22 — — WO disclosed
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