SCHEMBL7276744

SCHEMBL7276744

CCCC(=O)c1ccc(C(=O)O)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 2/20 0.61
P4HTM Q9NXG6 2/20 0.61
MIF P14174 1/20 0.61
MAPT P10636 2/20 0.51
HCAR3 P49019 9/20 0.51
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
HCAR2 Q8TDS4 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 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
SCHEMBL9621792 0.86 P4HTM (0.61) P4HA1P4HTMMIFMAPTL3MBTL1
SCHEMBL27525392 0.83 P4HTM (0.58) P4HA1P4HTMMIFMAPTHCAR3
SCHEMBL7279218 0.81 P4HA1 (0.54) P4HA1P4HTMMIFMAPTHCAR3
SCHEMBL7279221 0.81 P4HA1 (0.54) P4HA1P4HTMMIFMAPTHCAR3
SCHEMBL17819955 0.79 GABRA1 (0.47) P4HTMMAPTL3MBTL1KDM4EHPGD
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.77 P4HTM (1.00) P4HA1P4HTMMIFHCAR3L3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.77 P4HTM (1.00) P4HA1P4HTMMIFHCAR3L3MBTL1
SCHEMBL3179541 0.76 P4HTM (0.73) P4HA1P4HTMMIFMAPTHCAR3
SCHEMBL840867 0.76 HCAR3 (0.59) P4HA1P4HTMMIFMAPTHCAR3
SCHEMBL22269020 0.76 HCAR3 (0.59) P4HA1P4HTMMIFMAPTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4904675-A Phamacologically active 5-carboxy-2-(5-tetrazolyl) pyridines ZYMA SA (CH) 1990-02-27 US disclosed
EP-0278908-A2 Heterocyclic compounds Zyma SA (CH) 1988-08-17 EP disclosed