SCHEMBL28217499

SCHEMBL28217499

CC(C)(C)OC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 5/20 0.58
▸ ERAP2 Q6P179 4/20 0.50
▸ ERAP1 Q9NZ08 2/20 0.50
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ LY96 Q9Y6Y9 1/20 0.49
▸ ROCK2 O75116 2/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL28217498 1.00 LNPEP (0.58) LNPEPERAP2ERAP1CA1CA2
SCHEMBL7514473 0.90 LNPEP (0.47) LNPEPCA1CA2ROCK2POLB
SCHEMBL7514478 0.90 LNPEP (0.47) LNPEPCA1CA2ROCK2POLB
SCHEMBL22384242 0.86 LNPEP (0.55) LNPEPERAP2ERAP1CA1CA2
SCHEMBL15037126 0.86 LNPEP (0.55) LNPEPERAP2ERAP1CA1CA2
SCHEMBL27616693 0.84 CTSL (0.60) LNPEPLY96ROCK2CTSSCTSK
SCHEMBL7703695 0.84 LNPEP (0.53) LNPEPERAP2ERAP1CA1CA2
SCHEMBL17486396 0.82 LNPEP (0.52) LNPEPERAP2ERAP1CA1CA2
SCHEMBL7516005 0.81 CA2 (0.67) LNPEPCA1CA2
SCHEMBL28217500 0.81 CA2 (0.67) LNPEPCA1CA2

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
CN-106045932-B A kind of compound and its application with radiosensitizing effect 浙江省肿瘤医院 2018-05-15 — — CN disclosed
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