SCHEMBL11269896

SCHEMBL11269896

CC(C)(Oc1ccc2c(c1)c(-c1ccncc1)c1n2CCCCC1)C(=O)O.[Na]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TBXAS1 P24557 2/20 0.37
HTR6 P50406 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C9 P11712 1/20 0.35
PPARA Q07869 5/20 0.34
PPARG P37231 3/20 0.34
HTR2C P28335 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
SCHEMBL11260420 0.99 GAA (0.39) GAAALDH1A1ALOX15TBXAS1HTR6
SCHEMBL11269886 0.98 GAA (0.38) GAAALDH1A1ALOX15TBXAS1HTR6
SCHEMBL11261802 0.91 TBXAS1 (0.38) GAAALDH1A1ALOX15TBXAS1SLC22A12
SCHEMBL11269891 0.89 HTR6 (0.38) GAAALDH1A1ALOX15HTR6TP53
SCHEMBL11255435 0.87 GAA (0.46) GAAALDH1A1ALOX15HTR6TP53
SCHEMBL11267432 0.86 GAA (0.45) GAAALDH1A1ALOX15HTR6TP53
SCHEMBL11264489 0.79 GAA (0.42) GAAALDH1A1ALOX15TP53CYP1A2
SCHEMBL11266222 0.79 GAA (0.48) GAAALDH1A1ALOX15HTR6CYP1A2
SCHEMBL11271278 0.78 PPARA (0.36) MEN1CYP1A2CYP3A4CYP2C19KMT2A
Hydrochloric Acid SCHEMBL11259145 0.75 PTPN7 (0.43) GAAALDH1A1TBXAS1SLC22A12PTPN7

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