SCHEMBL7230456

SCHEMBL7230456

CCCNc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 5/20 0.42
▸ CREBBP Q92793 1/20 0.37
▸ GAA P10253 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ PLEC Q15149 1/20 0.34
▸ FYN P06241 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ KDM6B O15054 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL7229971 0.93 HCAR3 (0.45) HCAR3GAAKDM4EALDH1A1HPGD
SCHEMBL7232819 0.92 HCAR3 (0.44) HCAR3KDM4EALDH1A1HPGDTSHR
SCHEMBL7240516 0.92 HCAR3 (0.44) HCAR3KDM4EALDH1A1HPGDTSHR
SCHEMBL7240060 0.85 GAA (0.35) GAAKDM4EALDH1A1MAPTHSD17B10
SCHEMBL7229705 0.85 MAPT (0.41) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL7240509 0.84 HCAR3 (0.35) HCAR3GAAKDM4EALDH1A1HPGD
SCHEMBL30249775 0.84 HCAR3 (0.43) HCAR3GAAKDM4EALDH1A1HPGD
SCHEMBL7229957 0.84 HCAR3 (0.43) HCAR3GAAKDM4EALDH1A1HPGD
SCHEMBL7230157 0.83 MGLL (0.40) HCAR3GAAKDM4EALDH1A1HPGD
SCHEMBL7233569 0.83 HCAR3 (0.38) HCAR3GAAPTGER4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509359-B1 Use as a neuramninidase inhibitor in virus BIOCRYST PHARMACEUTICALS, INC. 2003-01-21 — — US claimed
WO-1999014191-A1 PYRROLIDIN-2-ONE COMPOUNDS AND THEIR USE AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1999-03-25 — — WO claimed
US-6509359-B1 Use as a neuramninidase inhibitor in virus BIOCRYST PHARMACEUTICALS, INC. 2003-01-21 — — US disclosed
WO-1999014191-A1 PYRROLIDIN-2-ONE COMPOUNDS AND THEIR USE AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 1999-03-25 — — WO disclosed
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