SCHEMBL11399725

SCHEMBL11399725

CCOC(=O)CC(C)(O)C=CCCc1ccccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ PTGER1 P34995 2/20 0.44
▸ PTGER4 P35408 2/20 0.44
▸ PTGER3 P43115 2/20 0.44
▸ PTGER2 P43116 2/20 0.44
▸ ABCB1 P08183 5/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ FOLH1 Q04609 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL11399724 1.00 HTR1A (0.45) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL11399750 1.00 HTR1A (0.45) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL11388895 0.85 ABCB1 (0.44) ABCB1MEN1MAPTKMT2ATDP1
SCHEMBL11388893 0.85 ABCB1 (0.44) ABCB1MEN1MAPTKMT2ATDP1
SCHEMBL11388723 0.85 NR1H4 (0.51) NR1H4KDM4ELMNAMEN1ALDH1A1
SCHEMBL11388721 0.85 NR1H4 (0.51) NR1H4KDM4ELMNAMEN1ALDH1A1
SCHEMBL11398757 0.83 APP (0.55) PTGER4PTGER2KDM4EMEN1ALDH1A1
SCHEMBL11398770 0.83 APP (0.55) PTGER4PTGER2KDM4EMEN1ALDH1A1
SCHEMBL11398737 0.83 APP (0.55) PTGER4PTGER2KDM4EMEN1ALDH1A1
SCHEMBL11390558 0.81 NR1H4 (0.49) NR1H4KDM4ELMNAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262013-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1981-04-14 — — US disclosed
US-4198425-A ANTILIPEMIC AGENTS SANKYO COMPANY LIMITED (JP) 1980-04-15 — — US disclosed
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