SCHEMBL7874439

SCHEMBL7874439

CC(C)(C)c1ccc(CCC=O)cc1.CC(C)=CCCC1=CCC(C=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 2/20 0.40
PGGT1B P53609 1/20 0.40
PKM P14618 1/20 0.37
MCL1 Q07820 9/20 0.36
BCL2L1 Q07817 5/20 0.36
FNTB P49356 1/20 0.36
BCL2 P10415 7/20 0.35
TRPV1 Q8NER1 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL214415 0.82 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL19717960 0.82 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL29626008 0.82 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTFNTA
Lyral SCHEMBL5986927 0.77 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL10812462 0.76 FNTA (0.56) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL10812465 0.76 FNTA (0.56) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL28503448 0.74 TRPV1 (0.44) TRPV1
Lyral SCHEMBL26622234 0.73 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL8780535 0.71 ALDH1A1 (0.42) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL1864936 0.71 TP53 (0.52)

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
EP-1123376-A2 LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-08-16 EP disclosed
WO-2000002982-A2 LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-01-20 WO disclosed