SCHEMBL4614435

SCHEMBL4614435

CCCCc1ccccc1CC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
IAPP P10997 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4858083 0.87 LIPG (0.55) LIPGALDH1A1BIDMCL1BCL2L1
SCHEMBL21100152 0.86 IAPP (0.46) ALDH1A1IAPPHSD11B1
SCHEMBL11579269 0.86 IAPP (0.39) LIPGALDH1A1BIDMCL1BCL2L1
SCHEMBL2461497 0.83 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10BIDMCL1
Bicarbonate SCHEMBL27586024 0.82 LIPG (0.52) LIPGALDH1A1HPGDHSD17B10BID
SCHEMBL29210932 0.82 GABRA1 (0.44) ALDH1A1IAPPHSD11B1
SCHEMBL11576862 0.82 TSHR (0.39) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL7704572 0.81 ICMT (0.48) LIPGALDH1A1HPGDHSD17B10BID
SCHEMBL11578991 0.80 CYP4F2 (0.48) ALDH1A1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL19065024 0.80 ALDH1A1 (0.44) LIPGALDH1A1HPGDHSD17B10BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385930-B1 PRO-PERFUME COMPOSITIONS PROCTER & GAMBLE (US) 2008-04-23 EP claimed
EP-3238697-B1 CLEANING AGENT COMPOSITION CONTAINING ACYL BASIC AMINO ACID DERIVATIVE AJINOMOTO KK (JP) 2021-02-24 EP disclosed
EP-3238697-A1 CLEANING AGENT COMPOSITION CONTAINING ACYL BASIC AMINO ACID DERIVATIVE AJINOMOTO CO., INC. (JP) 2017-11-01 EP disclosed