SCHEMBL13754147

SCHEMBL13754147

COc1ccc(C(=O)C(OCCC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
NFE2L2 Q16236 1/20 0.40
HTT P42858 2/20 0.39
SLC2A1 P11166 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL13754159 0.86 ALOX15 (0.51) ALOX15NFE2L2HTTMEN1KMT2A
SCHEMBL4450364 0.84 TP53 (0.47) ALOX15
SCHEMBL13754156 0.84 TP53 (0.47) ALOX15
SCHEMBL4399313 0.83 ALOX15 (0.46) ALOX15NFE2L2HTTALDH1A1HDAC3
SCHEMBL13754145 0.82 ALOX15 (0.45) ALOX15NFE2L2MEN1KMT2AALDH1A1
SCHEMBL7940736 0.81 ALOX15 (0.48) ALOX15NFE2L2HTTALDH1A1HDAC3
SCHEMBL13593639 0.80 ALOX15 (0.41) ALOX15NFE2L2CYP2D6ALDH1A1CYP1A2
SCHEMBL4447823 0.78 ALOX15 (0.38) ALOX15NFE2L2SLC2A1ALDH1A1MAPT
SCHEMBL21596631 0.78 ALOX15 (0.43) ALOX15NFE2L2ALDH1A1HDAC3HDAC4
SCHEMBL21596629 0.78 ALOX15 (0.43) ALOX15NFE2L2ALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed
US-7572938-B2 Precursors for ketones and aldehydes GIVAUDAN SA (CH) 2009-08-11 US disclosed