SCHEMBL20446019

SCHEMBL20446019

C=CC(=O)N[C@@H](CS)C(=O)O.C=CC(=O)OC1CN[C@H](C(=O)O)C1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ THPO P40225 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ACE P12821 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ SLC1A3 P43003 1/20 0.30
▸ SLC1A2 P43004 1/20 0.30
▸ SLC1A1 P43005 1/20 0.30

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
SCHEMBL20446020 1.00 ALOX15 (0.32) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL20446021 1.00 ALOX15 (0.32) ALOX15KDM4EMAPTTHRBNFKB1
SCHEMBL20446053 0.80 CYP2D6 (0.44) ALOX15THRBBLMCYP1A2CYP2D6
SCHEMBL16397892 0.80 CYP2D6 (0.44) ALOX15THRBBLMCYP1A2CYP2D6
SCHEMBL16397543 0.80 CYP2D6 (0.44) ALOX15THRBBLMCYP1A2CYP2D6
SCHEMBL16397787 0.80 CYP2D6 (0.44) ALOX15THRBBLMCYP1A2CYP2D6
SCHEMBL1260591 0.80 CYP2D6 (0.44) ALOX15THRBBLMCYP1A2CYP2D6
SCHEMBL19002903 0.80 CYP2D6 (0.44) ALOX15THRBBLMCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1260628 0.79 CYP2D6 (0.43) ALOX15THRBBLMCYP1A2CYP2D6
SCHEMBL4305909 0.73 KDM4E (0.55) ALOX15KDM4EMAPTTHRBNFKB1

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-3356433-A1 NEW POLYMER MATERIALS FOR CONTACT LENS APPLICATIONS CIS Pharma AG (CH) 2018-08-08 — — EP disclosed
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