SCHEMBL15519641

SCHEMBL15519641

CC(C)=CCCC1=C[C@H](C)[C@@](C)(C#N)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.34
FNTA P49354 2/20 0.34
PKM P14618 1/20 0.34
PGGT1B P53609 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCL2L1 Q07817 2/20 0.30
MCL1 Q07820 2/20 0.30
FNTB P49356 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
SCHEMBL13273470 1.00 MEN1 (0.35) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL13273467 1.00 MEN1 (0.35) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL2574409 1.00 MEN1 (0.35) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL3840984 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL13714694 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL3840987 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL13273469 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL8673414 0.76 MEN1 (0.35) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL3015208 0.71 MEN1 (0.36) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL8144624 0.68 MEN1 (0.41) MEN1KMT2AALDH1A1FNTAPKM

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
EP-2382187-B1 COMPOUND GIVAUDAN SA (CH) 2014-03-19 EP disclosed