SCHEMBL22336368

SCHEMBL22336368

O=C(O)CC[n+]1ccc(C(=O)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.36
HCAR2 Q8TDS4 3/20 0.36
P4HA1 P13674 2/20 0.36
HCAR3 P49019 4/20 0.35
ALDH1A1 P00352 3/20 0.35
APP P05067 1/20 0.35
GAA P10253 1/20 0.35
MIF P14174 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
Hydrochloric Acid SCHEMBL22322580 0.98 HCAR2 (0.39) P4HTMHCAR2P4HA1HCAR3ALDH1A1
SCHEMBL22322578 0.87 KDM4E (0.33) KDM4EPOLBHSD17B10TSHRCYP2D6
SCHEMBL22018297 0.83 BAZ2B (0.39) KDM4EPOLBHSD17B10HPGDTSHR
SCHEMBL22336366 0.83 HCAR3 (0.37) P4HTMHCAR2P4HA1HCAR3ALDH1A1
SCHEMBL22018099 0.81 MAPK1 (0.35) GAAKDM4EMAPTCYP1A2CYP2C9
SCHEMBL22336301 0.80 HCAR3 (0.43) HCAR2HCAR3ALDH1A1MAPTTSHR
SCHEMBL22018047 0.79 HPGD (0.35) ALDH1A1KDM4EPOLBHSD17B10MAPT
SCHEMBL22017886 0.79 TP53 (0.42) ALDH1A1GAAKDM4EPOLBHSD17B10
Hydrochloric Acid SCHEMBL22322538 0.79 HCAR3 (0.42) HCAR2HCAR3ALDH1A1APPGAA
SCHEMBL22336268 0.79 HCAR3 (0.44) P4HTMHCAR2P4HA1HCAR3ALDH1A1

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
WO-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed