SCHEMBL11225954

SCHEMBL11225954

COc1ccc(N(CCCC(=O)N(CCCCCC(=O)O)c2c(C)cccc2C)C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 3/20 0.46
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ PDK1 Q15118 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL11313069 0.97 PTGIR (0.48) PTGIRMAPTTHRBTSHRLMNA
SCHEMBL11312940 0.94 PTGIR (0.46) PTGIRMAPTTHRBTSHRLMNA
SCHEMBL11315540 0.91 PTGIR (0.45) PTGIRMAPTTHRBTSHRLMNA
SCHEMBL11310893 0.88 MAPT (0.42) PTGIRMAPTTHRBTSHRLMNA
SCHEMBL11314317 0.87 PTGIR (0.52) PTGIRTSHRLMNATP53ACHE
SCHEMBL11117499 0.87 PTGIR (0.54) PTGIRTSHRLMNATP53ACHE
SCHEMBL11116578 0.87 PTGIR (0.54) PTGIRTSHRLMNATP53ACHE
SCHEMBL11115783 0.87 PTGIR (0.54) PTGIRTSHRLMNATP53ACHE
SCHEMBL11946690 0.86 PTGIR (0.55) PTGIRTSHRLMNATP53ACHE
SCHEMBL11232801 0.85 PTGIR (0.50) PTGIRTSHRLMNATP53ACHE

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
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