SCHEMBL8124433

SCHEMBL8124433

O=C(O)[C@H]1CCC[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.49
▸ FABP7 O15540 2/20 0.49
▸ KMT2A Q03164 3/20 0.44
▸ EPHX2 P34913 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ FFAR2 O15552 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CASP3 P42574 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
SCHEMBL31370144 0.90 FABP5 (0.49) FABP5FABP7KMT2AEPHX2ALDH1A1
SCHEMBL17356388 0.85 ACE (0.45) FABP5FABP7KMT2AFFAR2
SCHEMBL22648502 0.85 ACE (0.45) FABP5FABP7KMT2AFFAR2
SCHEMBL3308417 0.85 ACE (0.45) FABP5FABP7KMT2AFFAR2
SCHEMBL29634854 0.85 ACE (0.45) FABP5FABP7KMT2AFFAR2
SCHEMBL28777376 0.85 ACE (0.45) FABP5FABP7KMT2AFFAR2
SCHEMBL3366299 0.85 FABP5 (0.51) FABP5FABP7KMT2AFFAR2
SCHEMBL31159434 0.85 FABP5 (0.51) FABP5FABP7KMT2AFFAR2
SCHEMBL799703 0.85 FABP5 (0.51) FABP5FABP7KMT2AFFAR2
SCHEMBL118354 0.84 ALDH1A1 (0.58) FABP5FABP7KMT2AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000030-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF Phytera Symbion ApS (DK) 2000-05-17 — — EP disclosed
WO-1999003832-A1 PIPERIDINE OLIGOMERS AND COMBINATORIAL LIBRARIES THEREOF PHYTERA SYMBION APS (DK) 1999-01-28 — — WO disclosed
Send feedback