SCHEMBL9335939

SCHEMBL9335939

Cc1ccc(C(=O)NCCC(=O)O)c(NC(=O)[C@@H](N)CCCNC(=N)N)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ITGB3 P05106 2/20 0.37
▸ ITGA2B P08514 2/20 0.37
▸ LNPEP Q9UIQ6 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPY4R P50391 5/20 0.36
▸ NPY1R P25929 4/20 0.36
▸ NPY2R P49146 4/20 0.36
▸ NPY5R Q15761 4/20 0.36
▸ PPARG P37231 2/20 0.36
▸ GCGR P47871 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ PPARA Q07869 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
SCHEMBL9337587 0.88 HPGD (0.40) HDAC3HDAC1ITGB3ITGA2BLNPEP
SCHEMBL9339324 0.87 HDAC3 (0.35) HDAC3HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL9335895 0.82 CASR (0.43) HDAC3ITGB3ITGA2BLNPEPERAP2
Formic Acid SCHEMBL9339307 0.79 CASR (0.43) HDAC3ITGB3ITGA2BLNPEPERAP2
SCHEMBL9337573 0.78 POLB (0.52) HDAC1NPC1RAB9ASMN1; SMN2LNPEP
SCHEMBL9335889 0.77 HDAC3 (0.35) HDAC3HDAC1LNPEPNPY4RNPY1R
SCHEMBL9335651 0.76 EPHX2 (0.47) ITGB3ITGA2BGAAGCGR
SCHEMBL9866534 0.76 GAA (0.46) HDAC3HDAC1NPC1RAB9ASMN1; SMN2
Formic Acid SCHEMBL9335859 0.75 POLB (0.48) NPC1RAB9ASMN1; SMN2LNPEPERAP2
SCHEMBL12514977 0.75 MMP2 (0.43) NPY4RNPY1RNPY2RNPY5R

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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