SCHEMBL8257584

SCHEMBL8257584

O=C(CCCCC(S)CCS)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ ACE P12821 3/20 0.45
▸ MME P08473 1/20 0.45
▸ KDM6B O15054 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2576087 0.86 ACE (0.54) ACEMMEFAAHEPHX2
SCHEMBL2576086 0.86 ACE (0.54) ACEMMEFAAHEPHX2
SCHEMBL3334676 0.85 ACE (0.53) ACEMMEFAAHEPHX2
SCHEMBL3334668 0.85 ACE (0.53) ACEMMEFAAHEPHX2
SCHEMBL3278844 0.85 ACE (0.53) ACEMMEFAAHEPHX2
SCHEMBL3278851 0.85 ACE (0.53) ACEMMEFAAHEPHX2
SCHEMBL11277926 0.84 CA2 (0.55) FOLH1CA1CA2ACEMME
SCHEMBL24090396 0.80 TRPV1 (0.62) CA1CA2ACEMMEKDM4E
SCHEMBL8257309 0.80 TRPV1 (0.62) CA1CA2ACEMMEKDM4E
SCHEMBL10099813 0.79 CA1 (0.56) FOLH1CA1CA2ACEMME

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
WO-2006119758-A2 DIHYDROXYPHENYLALANINE DERIVATIVES ELLNEUROXX LTD. (DE) 2006-11-16 — — WO disclosed
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