SCHEMBL8978468

SCHEMBL8978468

COc1cccc(C(O)C(NC(C)=O)C2CCCc3c(ccc(O)c3O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
UGCG Q16739 1/20 0.39
MTNR1A P48039 7/20 0.37
MTNR1B P49286 7/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
ROCK2 O75116 1/20 0.34
PRKG1 Q13976 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL8978466 0.81 AGTR2 (0.44) MEN1ALDH1A1MAPK1KMT2AUGCG
SCHEMBL8542880 0.74 AOC3 (0.41) POLBMTNR1AMTNR1BL3MBTL1
SCHEMBL8548253 0.67 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8545606 0.67 AOC3 (0.45) POLBUGCGMTNR1AMTNR1BL3MBTL1
SCHEMBL9186638 0.66 MTNR1A (0.50) POLBALDH1A1MTNR1AMTNR1BRAB9A
SCHEMBL7100679 0.63 POLB (0.55) POLBMEN1ALDH1A1MAPK1KMT2A
SCHEMBL14380839 0.62 ACACB (0.67) POLBMEN1MAPK1KMT2AMTNR1A
SCHEMBL6969020 0.62 ACACB (0.67) POLBMEN1MAPK1KMT2AMTNR1A
SCHEMBL11604883 0.61 AOC3 (0.62) ALDH1A1MAPK1MTNR1AMTNR1BRAB9A
SCHEMBL29676292 0.60 MTNR1A (0.56) ALDH1A1MTNR1AMTNR1BL3MBTL1

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
US-5510376-A TREATING DIABETES, HYPERGLYCEMIA, OBESITY AMERICAN CYANAMID COMPANY (US) 1996-04-23 US disclosed