SCHEMBL11259633

SCHEMBL11259633

CCOC(=O)C(C)(C)Oc1ccc2c(c1)c(-c1ccccn1)c1n2CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.39
PPARA Q07869 3/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
PMP22 Q01453 1/20 0.38
HTR2C P28335 1/20 0.36
ELANE P08246 1/20 0.36
PPARG P37231 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
METAP1 P53582 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL11266222 0.88 GAA (0.48) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11255435 0.87 GAA (0.46) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11259318 0.87 GAA (0.42) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11267432 0.86 GAA (0.45) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11261797 0.80 PPARA (0.43) GAAALDH1A1MAPK1PPARAABCB11
SCHEMBL11264489 0.80 GAA (0.42) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11260420 0.74 GAA (0.39) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11263577 0.74 GAA (0.47) GAAALDH1A1ALOX15MAPK1TSHR
SCHEMBL11269896 0.73 GAA (0.38) GAAALDH1A1ALOX15MAPK1PPARA
SCHEMBL11269891 0.73 HTR6 (0.38) GAAALDH1A1ALOX15MAPK1CYP1A2

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-4343811-A ATHEROSCLEROSIS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-10 US disclosed