SCHEMBL471650

SCHEMBL471650

Bc1ccc(C(=O)O)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.61
P4HTM Q9NXG6 2/20 0.61
MIF P14174 1/20 0.59
GABRP O00591 1/20 0.57
GABRD O14764 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRG2 P18507 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
GABRE P78334 1/20 0.57
GABRA6 Q16445 1/20 0.57
GABRG1 Q8N1C3 1/20 0.57
GABRG3 Q99928 1/20 0.57
GABRQ Q9UN88 1/20 0.57
NAPRT Q6XQN6 1/20 0.57

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
SCHEMBL13825404 0.80 KCNJ1 (0.46) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL38414 0.77 P4HA1 (0.61) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL29751460 0.77 P4HA1 (0.61) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL29683317 0.76 P4HTM (1.00) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL29397057 0.76 P4HTM (1.00) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL68560 0.76 P4HTM (1.00) P4HA1P4HTMMIFGABRPGABRD
Hydrochloric Acid SCHEMBL1871783 0.76 P4HA1 (0.59) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL1755302 0.75 MAPK1 (0.65) ALDH1A1MAPTTSHR
SCHEMBL13825406 0.75 GSK3B (0.48) P4HA1P4HTMMIFGABRPGABRD
SCHEMBL4810668 0.74 P4HA1 (0.64) P4HA1P4HTMMIFGABRPGABRD

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
EP-2548874-A2 Substituted piperazines as CB1 antagonists Intervet International B.V. (NL) 2013-01-23 EP disclosed
WO-2012027289-A1 AMINOPYRIDINE- AND AMINOPYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS INC. (US) 2012-03-01 WO disclosed