SCHEMBL8474377

SCHEMBL8474377

COC(=O)COc1ccc(N2CCC(NCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.50
ALDH1A1 P00352 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
TGFBR1 P36897 3/20 0.47
SUV39H2 Q9H5I1 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7369003 1.00 GPR119 (0.50) GPR119ALDH1A1KDM4EPKMTGFBR1
SCHEMBL7364852 0.85 GPR119 (0.51) GPR119MAPT
SCHEMBL7358222 0.84 GPR119 (0.51) GPR119ALDH1A1TGFBR1LMNAMAPT
SCHEMBL7359036 0.84 MAPT (0.49) GPR119ALDH1A1TGFBR1LMNAMAPT
SCHEMBL7369010 0.84 MAPT (0.59) GPR119ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7365688 0.83 GPR119 (0.53) GPR119ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7360159 0.83 GPR119 (0.53) GPR119ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8477717 0.83 GPR119 (0.48) GPR119ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7366689 0.83 GPR119 (0.47) GPR119ALDH1A1TGFBR1LMNAMAPT
SCHEMBL8477714 0.82 GPR119 (0.54) GPR119ALDH1A1LMNAMAPTSMN1; SMN2

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-5994356-A ANTICOAGULANT KARL THOMAE (DE) 1999-11-30 US disclosed