SCHEMBL9513344

SCHEMBL9513344

CC(=O)O[C@@H](C)COC(=O)c1ccc(C(=O)OC[C@H](C)OC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
ADRB2 P07550 8/20 0.46
ADRB1 P08588 8/20 0.46
ADRB3 P13945 8/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
PTPN1 P18031 1/20 0.44
ACHE P22303 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL9494095 0.95 SLC1A5 (0.49) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL16217670 0.93 MAPT (0.46) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL15131591 0.93 ADRB2 (0.56) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL3957408 0.86 ALDH1A1 (0.53) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL24055108 0.86 MAPT (0.49) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL24841040 0.85 MAPT (0.40) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL6370425 0.84 MAPT (0.40) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL17929892 0.83 ADRB2 (0.47) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL17929891 0.83 ADRB2 (0.47) MAPTPLA2G1BATG4BADRB2ADRB1
SCHEMBL14947115 0.82 ADRB2 (0.59) MAPTPLA2G1BATG4BADRB2ADRB1

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-0386198-B1 THERMOCHROMIC MIXTURES MERCK PATENT GmbH (DE) 1993-10-13 EP claimed