SCHEMBL4917645

SCHEMBL4917645

CCCC(=O)C1CC=CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
MIF P14174 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5751086 0.87 NAAA (0.40) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL13969443 0.86 CES2 (0.38) ALDH1A1HSD17B10ABL1RIN1CES2
SCHEMBL5278699 0.84 ALDH1A1 (0.41) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL12674300 0.83 ABL1 (0.34) ALDH1A1HSD17B10KDM4EPKMRAB9A
SCHEMBL7176113 0.81 ABL1 (0.33) ALDH1A1HSD17B10KDM4EPKMRAB9A
SCHEMBL7176124 0.81 ABL1 (0.33) ALDH1A1HSD17B10KDM4EPKMRAB9A
SCHEMBL29333120 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL13406585 0.79 MEN1 (0.38) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL24060662 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2AALOX15
SCHEMBL10333486 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10MEN1KMT2AALOX15

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
US-8877234-B2 Preservatives CLARIANT FINANCE (BVI) LIMITED (VG) 2014-11-04 US disclosed
US-20080312195-A1 Preservatives CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-12-18 US disclosed
US-5750124-A W/O/W emulsions BEIERSDORF AG (DE) 1998-05-12 US disclosed