SCHEMBL10608596

SCHEMBL10608596

CCCCCCC([O])c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
EPHX2 P34913 2/20 0.45
GRM2 Q14416 1/20 0.43
AOC3 Q16853 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL7521457 0.83 MTNR1A (0.44) L3MBTL1MTNR1AMTNR1BEPHX2GRM2
SCHEMBL11619991 0.83 AOC3 (0.45) L3MBTL1MTNR1AMTNR1BEPHX2AOC3
SCHEMBL11616745 0.81 AOC3 (0.59) L3MBTL1MTNR1AMTNR1BAOC3ALOX5
SCHEMBL10608578 0.81 MMP13 (0.47) GRM2
SCHEMBL10607023 0.80 L3MBTL1 (0.55) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL29195967 0.80 SLC2A1 (0.50) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL11619897 0.80 AOC3 (0.43) L3MBTL1MTNR1AMTNR1BAOC3
SCHEMBL10610045 0.79 MMP13 (0.45) TAS1R3TAS1R1
SCHEMBL7311626 0.78 KMT2A (0.43) L3MBTL1MTNR1AMTNR1BEPHX2GRM2
SCHEMBL30167310 0.78 KMT2A (0.43) L3MBTL1MTNR1AMTNR1BEPHX2GRM2

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
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed