SCHEMBL18175910

SCHEMBL18175910

CCCOC(=O)C1COCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
BCHE P06276 2/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2502804 0.87
SCHEMBL1866306 0.85 ALDH1A1 (0.39) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL21138920 0.85 TSHR (0.43) ALDH1A1
SCHEMBL20253766 0.84 TSHR (0.33) ALDH1A1
SCHEMBL27779597 0.84 PPM1B (0.41) PPM1BPTPN1PPP1CCALDH1A1NPC1
SCHEMBL28097225 0.84 TSHR (0.31)
SCHEMBL20253765 0.82
SCHEMBL20253768 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL20253788 0.80 GAA (0.31) RAB9ASMN1; SMN2
SCHEMBL20253780 0.78

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
EP-3086396-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-10-26 EP disclosed