SCHEMBL11270686

SCHEMBL11270686

O=C(O)C1(CCCCCc2ccccc2)CO1.[CaH2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
FDFT1 P37268 1/20 0.48
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 2/20 0.44
ALOX5 P09917 1/20 0.44
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
FAAH O00519 4/20 0.43

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
SCHEMBL11203828 0.98 MAPT (0.50) MAPTRXFP1FDFT1HDAC1HDAC2
SCHEMBL11209541 0.92 HDAC3 (0.47) MAPTRXFP1FDFT1HDAC1HDAC2
SCHEMBL11209645 0.85 MAPT (0.46) MAPTRXFP1FDFT1HDAC1HDAC2
SCHEMBL11205171 0.85 HDAC1 (0.49) MAPTRXFP1HDAC1HDAC2ALOX5
Clomoxir SCHEMBL112980 0.85 ABCB11 (0.47) MAPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL11275748 0.80 LMNA (0.58) MAPTMAPK1
SCHEMBL11268263 0.80 LMNA (0.58) MAPTMAPK1
SCHEMBL8925815 0.80 MAPT (0.42) MAPTRXFP1HDAC1HDAC2ALOX5
SCHEMBL11266263 0.80 LMNA (0.58) MAPTMAPK1
SCHEMBL11268538 0.80 LMNA (0.58) MAPTMAPK1

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