SCHEMBL11266716

SCHEMBL11266716

CC(C)COC(=O)C1(CCCCCc2cccc(Cl)c2)CO1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
ABCB11 O95342 1/20 0.47
NAAA Q02083 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SLC2A1 P11166 2/20 0.39
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 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
SCHEMBL11259226 0.87 ABCB11 (0.56) MAPTLMNAMAPK1ABCB11NAAA
SCHEMBL11274582 0.86 ABCB11 (0.53) MAPTLMNAMAPK1ABCB11NAAA
SCHEMBL11298734 0.84 ABCB11 (0.59) MAPTLMNAMAPK1ABCB11HTT
SCHEMBL11205435 0.83 NAAA (0.40) MAPTLMNAMAPK1NAAAALDH1A1
SCHEMBL11259163 0.83 MAPT (0.57) MAPTLMNAMAPK1ABCB11NAAA
SCHEMBL11294281 0.81 LMNA (0.61) MAPTLMNAMAPK1ABCB11NAAA
SCHEMBL11298608 0.77 ABCB11 (0.77) MAPTLMNAMAPK1ABCB11
SCHEMBL11292756 0.77 LMNA (0.52) MAPTLMNAMAPK1ABCB11ALDH1A1
SCHEMBL11142160 0.76 LMNA (0.43) MAPTLMNAMAPK1ABCB11ALDH1A1
SCHEMBL11205620 0.75 PLAAT3 (0.46) LMNANAAAALDH1A1TAAR1HTT

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