SCHEMBL11394378

SCHEMBL11394378

CCOC(=O)CC(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ CPA1 P15085 6/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ANPEP P15144 1/20 0.45
▸ ERAP2 Q6P179 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ KCNJ1 P48048 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL12018103 0.91 MAPT (0.55) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL5829506 0.84 MAPT (0.56) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL11123380 0.82 CPA1 (0.62) LMNACPA1ALDH1A1ANPEPERAP2
SCHEMBL8313296 0.82 CPA1 (0.62) CPA1ANPEP
SCHEMBL10436410 0.81 CPA1 (0.57) LMNACPA1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9656917 0.81 EPHX2 (0.51) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL9656913 0.80 EPHX2 (0.50) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL10747515 0.80 MAPT (0.52) MAPTLMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL11829173 0.80 MAPT (0.52) MAPTLMNAKDM4ERAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL10521304 0.79 MAPT (0.51) MAPTLMNAKDM4ERAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0038046-A2 Pharmaceutical amides, and preparation, formulations and use thereof THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-21 — — EP disclosed
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