SCHEMBL9693145

SCHEMBL9693145

CC1=CC(=O)CC(C)(C)/C1=C\C=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 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
SCHEMBL9691487 1.00 L3MBTL1 (0.33) L3MBTL1ALDH1A1MEN1KMT2AHIF1A
SCHEMBL9474508 0.84 ALDH1A1 (0.31) ALDH1A1MEN1KMT2A
SCHEMBL1774825 0.82 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL756992 0.82 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL2350507 0.82 MEN1 (0.30) ALDH1A1MEN1KMT2A
SCHEMBL11807855 0.77 MAPT (0.38) ALDH1A1MEN1KMT2AHIF1A
SCHEMBL11807860 0.77 MAPT (0.38) ALDH1A1MEN1KMT2AHIF1A
SCHEMBL42599 0.75 MAPT (0.41) ALDH1A1MEN1KMT2AHIF1A
SCHEMBL18582900 0.75 MAPT (0.41) ALDH1A1MEN1KMT2AHIF1A
SCHEMBL11132206 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356869-B1 PROCESS FOR THE PREPARATION OF A CYCLIC, UNSATURATED KETONE L. GIVAUDAN & CIE Société Anonyme (CH) 1992-11-19 EP claimed
US-5015779-A Process for the manufacture of 4-(2-butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one GIVAUDAN CORPORATION (US) 1991-05-14 US claimed
EP-0356869-A1 Process for the preparation of a cyclic, unsaturated ketone L. GIVAUDAN & CIE Société Anonyme (CH) 1990-03-07 EP claimed
US-5072019-A PROCESS FOR THE MANUFACTURE OF 4-(2-BUTENYLIDENE)-3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-ONE GIVAUDAN CORPORATION (US) 1991-12-10 US disclosed
US-5015779-A Process for the manufacture of 4-(2-butenylidene)-3,5,5-trimethyl-2-cyclohexen-1-one GIVAUDAN CORPORATION (US) 1991-05-14 US disclosed