SCHEMBL11224743

SCHEMBL11224743

O=C(O)CCCCN(C(=O)CCCN(C(=O)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MDM2 Q00987 2/20 0.38
▸ GCGR P47871 1/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HDAC4 P56524 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
SCHEMBL11320266 0.93 POLB (0.45) POLBLMNAALDH1A1SMN1; SMN2GCGR
SCHEMBL11314305 0.87 HPGD (0.45) ALDH1A1HDAC6HDAC3HDAC1HDAC2
SCHEMBL11314879 0.87 OPRD1 (0.43) GCGRHDAC6HDAC1OPRD1FOLH1
SCHEMBL11320955 0.87 OPRD1 (0.44) GCGRHDAC6HDAC1OPRD1OPRM1
SCHEMBL11237106 0.83 PTGIR (0.46) LMNAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL11328953 0.81 HDAC6 (0.44) POLBLMNAALDH1A1SMN1; SMN2HDAC6
SCHEMBL11322309 0.81 PTGIR (0.48) LMNAALDH1A1KDM4ETSHRNPSR1
SCHEMBL11327056 0.81 POLB (0.43) POLBLMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL11320450 0.81 ALOX5 (0.45) POLBLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL11227026 0.80 EPHX2 (0.43) HDAC6HDAC3HDAC1HDAC2OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003056-B1 N-SUBSTITUTED OMEGA-AMINOALKANOYL-OMEGA-AMINOALKANECARBOXYLIC ACIDS, THEIR APPLICATION AND PROCESS FOR THEIR PREPARATION, AND MEDICINES CONTAINING THESE COMPOUNDS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-08-18 — — EP disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 — — US disclosed
EP-0003056-A1 N-substituted omega-aminoalkanoyl-omega-aminoalkanecarboxylic acids, their application and process for their preparation, and medicines containing these compounds Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-07-25 — — EP disclosed
Send feedback