SCHEMBL11261335

SCHEMBL11261335

CCC(C)OC(=O)C(CCCc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.49
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.44
ALOX5 P09917 1/20 0.44
CALM1 P0DP23 1/20 0.43
MAPT P10636 1/20 0.43
GLA P06280 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL11277720 0.87 MEN1 (0.42) ALDH1A1KMT2AALOX5MAPT
SCHEMBL11261091 0.86 PPARA (0.51) MAPT
SCHEMBL11269543 0.86 MAPT (0.39) KMT2AMAPT
SCHEMBL7236478 0.85 MTNR1A (0.49) ALDH1A1
SCHEMBL5319863 0.85 LDHA (0.45) LDHAALDH1A1KMT2AMAPTNPC1
SCHEMBL11205148 0.84 LDHA (0.54) LDHAALDH1A1KMT2AALOX5CALM1
SCHEMBL2672698 0.84 LDHA (0.67) LDHAALDH1A1MAPT
SCHEMBL11261128 0.83 MAPT (0.46) ALDH1A1KMT2AMAPT
SCHEMBL11268642 0.82 MAPT (0.45) MAPT
SCHEMBL11261409 0.82 MAPT (0.45) MAPT

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-4324796-A HYPOGLYCEMIC AGENTS, HYPOKETONEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-04-13 US disclosed