SCHEMBL11859692

SCHEMBL11859692

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 5/20 0.49
▸ ERAP1 Q9NZ08 5/20 0.49
▸ LNPEP Q9UIQ6 1/20 0.49
▸ IL1RN P18510 4/20 0.48
▸ POLB P06746 1/20 0.47
▸ CTSK P43235 2/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ MME P08473 1/20 0.46
▸ ANPEP P15144 1/20 0.46
▸ CAPN1 P07384 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
SCHEMBL11847439 0.92 CTSK (0.48) ERAP2ERAP1IL1RNCTSKLCK
SCHEMBL11855613 0.90 LCK (0.52) ERAP2ERAP1LNPEPPOLBTACR1
SCHEMBL11857396 0.89 YARS1 (0.53) ERAP2ERAP1LNPEPPOLBTACR1
SCHEMBL11861185 0.89 YARS1 (0.53) ERAP2ERAP1LNPEPPOLBTACR1
SCHEMBL16984879 0.89 CTSB (0.55) ERAP2ERAP1IL1RNPOLBCTSK
SCHEMBL21244283 0.89 CTSB (0.55) ERAP2ERAP1IL1RNPOLBCTSK
SCHEMBL18257521 0.89 CTSB (0.55) ERAP2ERAP1IL1RNPOLBCTSK
SCHEMBL11856676 0.87 LCK (0.49) ERAP2ERAP1IL1RNPOLBLCK
SCHEMBL11854644 0.87 LCK (0.60) ERAP2ERAP1IL1RNLCK
SCHEMBL11858061 0.84 ACE (0.48) POLBTACR1LCKMMEANPEP

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
US-3939253-A Novel, transient pro-drug forms of l-dopa useful in the treatment of parkinson's disease INTERX RESEARCH CORPORATION (US) 1976-02-17 — — US disclosed
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