SCHEMBL9869319

SCHEMBL9869319

COCc1ccc(C(=O)O)c(C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM5A P29375 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37

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
SCHEMBL9870267 0.83 KDM4E (0.40) POLBTDP1ALDH1A1KDM4EMAPT
SCHEMBL920438 0.83 S1PR4 (0.46) POLBTDP1KDM5AKDM5BTSHR
SCHEMBL921607 0.81 GABRP (0.42) POLBTDP1KDM5AKDM5BALDH1A1
SCHEMBL27926185 0.81 POLB (0.40) POLBTDP1KDM5AKDM5BALDH1A1
SCHEMBL2160590 0.81 HCAR2 (0.36) POLBTDP1KDM5AKDM5BALDH1A1
SCHEMBL1046356 0.81 KMO (0.46) TDP1ALDH1A1KDM4ETSHRHCAR2
SCHEMBL24834805 0.80 GABRP (0.47) POLBTDP1ALDH1A1KDM4EMAPT
SCHEMBL9869424 0.79 KCNH2 (0.54) ALDH1A1KDM4EMAPTCYP3A4TSHR
SCHEMBL9814931 0.77 KDM4E (0.50) POLBTDP1KDM5AKDM5BALDH1A1
SCHEMBL22102940 0.75 PDE10A (0.35) KDM4EHCAR2KMOPDE10A

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-4997947-A Forming 6-substituted pyridine-2,3-dicarboxylic esters followed by reacting with aminoalkanecarboxylic acid amide; herbicides, plant growth regulators CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
EP-0296109-A2 Derivatives of 2-(imidazolin-2-yl)nicotinic acid CIBA-GEIGY AG (CH) 1988-12-21 EP disclosed