SCHEMBL9339508

SCHEMBL9339508

NCCCC[C@H](N)C(=O)Nc1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 5/20 0.53
▸ EPHX2 P34913 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ PAX8 Q06710 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2 P17301 1/20 0.43
▸ SIRT5 Q9NXA8 2/20 0.43
▸ GCGR P47871 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ CASR P41180 1/20 0.41

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
SCHEMBL9337608 0.97 TERT (0.48) TERTEPHX2LMNALTA4HPAX8
SCHEMBL9337581 0.97 TERT (0.48) TERTEPHX2LMNALTA4HPAX8
Formic Acid SCHEMBL9335926 0.96 TERT (0.49) TERTEPHX2LMNALTA4HPAX8
Formic Acid SCHEMBL9337592 0.93 TERT (0.45) TERTEPHX2LMNALTA4HPAX8
SCHEMBL9335651 0.86 EPHX2 (0.47) EPHX2LMNAPAX8GAAITGB3
SCHEMBL9335956 0.86 TERT (0.48) TERTEPHX2LMNALTA4HPAX8
Formic Acid SCHEMBL9339344 0.83 EPHX2 (0.44) EPHX2LMNAPAX8GAAITGB3
SCHEMBL9335980 0.83 KMT2A (0.58) EPHX2LMNAGAA
SCHEMBL9337613 0.83 TERT (0.44) TERTEPHX2LMNALTA4HPAX8
SCHEMBL9335865 0.82 MEN1 (0.56) EPHX2LMNAGAA

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
EP-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 — — EP claimed
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