SCHEMBL8466948

SCHEMBL8466948

C=CC(C)(CC/C=C(\C)CCC=C(C)C)OC(=O)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.54
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
FNTA P49354 7/20 0.40
FNTB P49356 7/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
UGT1A1 P22309 1/20 0.38
PGGT1B P53609 1/20 0.38
GGPS1 O95749 1/20 0.38

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
SCHEMBL254761 1.00 ALOX15 (0.54) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL3162151 0.92 ALOX15 (0.46) ALOX15CYP3A4
SCHEMBL16406367 0.91 ALOX15 (0.52) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL20839197 0.91 ALOX15 (0.57) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL30883182 0.88 ALOX15 (0.55) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL3506100 0.86 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL22372389 0.86 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL22372388 0.86 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL9017126 0.86 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB
SCHEMBL2004080 0.86 ALOX15 (0.59) ALOX15KMT2AALDH1A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787810-A2 Lithographic printing plates comprising bi-functional compounds. Agfa Graphics N.V. (BE) 2007-05-23 EP disclosed
US-20070105041-A1 Lithographic printing plate comprising bi-functional compounds AGFA-GEVAERT (BE) 2007-05-10 US disclosed
US-20070105041-A1 Lithographic printing plate comprising bi-functional compounds AGFA-GEVAERT (BE) 2007-05-10 US disclosed
US-5874635-A Preparation of γ, δ-unsaturated ketones by the carroll reaction in cyclic carbonates or γ-lactones BASF AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed