SCHEMBL9337573

SCHEMBL9337573

COc1ccc(C(=O)NCCC(=O)O)cc1NC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.52
▸ LNPEP Q9UIQ6 8/20 0.42
▸ ERAP2 Q6P179 7/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MARS1 P56192 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ERAP1 Q9NZ08 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39

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
Formic Acid SCHEMBL9335859 0.96 POLB (0.48) POLBLNPEPERAP2TLR7SMN1; SMN2
SCHEMBL9335895 0.88 CASR (0.43) POLBLNPEPERAP2MAPK1HTT
Formic Acid SCHEMBL9339307 0.84 CASR (0.43) POLBLNPEPERAP2HTT
SCHEMBL9337587 0.81 HPGD (0.40) POLBLNPEPERAP2HDAC1
SCHEMBL9335651 0.80 EPHX2 (0.47) GAA
SCHEMBL12518601 0.78 MMP2 (0.43) POLB
SCHEMBL12514977 0.78 MMP2 (0.43) POLB
SCHEMBL9335939 0.78 HDAC3 (0.39) LNPEPERAP2SMN1; SMN2NPC1RAB9A
SCHEMBL19445734 0.77 ERAP2 (0.40) LNPEPERAP2HDAC1HDAC6ERAP1
SCHEMBL13973836 0.77 ERAP2 (0.40) LNPEPERAP2HDAC1HDAC6ERAP1

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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