SCHEMBL11268845

SCHEMBL11268845

CCCOC(=O)C1(CCCCc2ccc(Cl)cc2)CO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
ABCB11 O95342 1/20 0.61
MAPK1 P28482 1/20 0.61
PPARA Q07869 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL11296975 0.91 LMNA (0.54) LMNAMAPTABCB11MAPK1PPARA
SCHEMBL11296901 0.90 LMNA (0.61) LMNAMAPTABCB11MAPK1PPARA
SCHEMBL4731655 0.89 LMNA (0.72) LMNAMAPTABCB11MAPK1PPARA
SCHEMBL11268901 0.89 LMNA (0.72) LMNAMAPTABCB11MAPK1PPARA
SCHEMBL11299997 0.87 LMNA (0.70) LMNAMAPTABCB11MAPK1ALDH1A1
SCHEMBL11261223 0.86 ABCB11 (0.59) LMNAMAPTABCB11MAPK1PPARA
SCHEMBL11264433 0.86 LMNA (0.68) LMNAMAPTABCB11MAPK1ALDH1A1
SCHEMBL11294309 0.85 LMNA (0.82) LMNAMAPTABCB11MAPK1ALDH1A1
SCHEMBL11293008 0.85 ABCB11 (0.61) LMNAMAPTABCB11MAPK1PPARA
SCHEMBL11274582 0.85 ABCB11 (0.53) LMNAMAPTABCB11MAPK1PPARA

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