SCHEMBL7240509

SCHEMBL7240509

CCCC(CCC)Nc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.35
▸ TAS1R3 Q7RTX0 8/20 0.33
▸ TAS1R1 Q7RTX1 8/20 0.33
▸ GAA P10253 1/20 0.33
▸ PTGER2 P43116 2/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL7233569 0.96 HCAR3 (0.38) HCAR3TAS1R3TAS1R1GAAPTGER2
SCHEMBL7229957 0.92 HCAR3 (0.43) HCAR3GAAHCAR2KDM4EALDH1A1
SCHEMBL30249775 0.92 HCAR3 (0.43) HCAR3GAAHCAR2KDM4EALDH1A1
SCHEMBL7231715 0.90 KDM4E (0.37) TAS1R3TAS1R1GAAKDM4EALDH1A1
SCHEMBL7234915 0.86 HCAR3 (0.40) HCAR3GAAHCAR2
SCHEMBL7230456 0.84 HCAR3 (0.42) HCAR3GAAPTGER4KDM4EALDH1A1
SCHEMBL7240060 0.82 GAA (0.35) GAAKDM4EALDH1A1HSD17B10POLB
SCHEMBL7229705 0.82 MAPT (0.41) GAAKDM4EALDH1A1HPGDTSHR
SCHEMBL7229971 0.82 HCAR3 (0.45) HCAR3GAAKDM4EALDH1A1HPGD
SCHEMBL7240516 0.81 HCAR3 (0.44) HCAR3KDM4EALDH1A1HPGDTSHR

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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