SCHEMBL9219482

SCHEMBL9219482

CC(C)CCC(=O)OCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CA1 P00915 2/20 0.39
HPGD P15428 1/20 0.39
DGKA P23743 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 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
SCHEMBL9215029 0.89 KDM4C (0.46) TSHRALDH1A1DGKANPC1KDM4C
SCHEMBL14494720 0.88 CA1 (0.41) CA1DGKAKDM4CGABRPGABRD
SCHEMBL14308492 0.88 CA1 (0.44) CA1DGKA
SCHEMBL25886908 0.88 CA1 (0.44) TSHRCA1DGKA
SCHEMBL9219375 0.87 KDM4C (0.49) TSHRALDH1A1DGKAKDM4CKDM4A
SCHEMBL8851367 0.87 DGKA (0.46) TSHRALDH1A1DGKANPC1KDM4C
SCHEMBL5898576 0.87 MAPT (0.40) TSHRALDH1A1DGKANPC1GABRP
SCHEMBL7591037 0.86 CA1 (0.43) CA1DGKA
SCHEMBL28771233 0.85 KDM4C (0.46) TSHRALDH1A1DGKANPC1KDM4C
SCHEMBL27897671 0.85 DGKA (0.48) TSHRALDH1A1DGKAKDM4CKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995005159-A1 ACYLATED HYDROXYALKANOATES AND THEIR USES UNILEVER PLC (GB) 1995-02-23 WO disclosed