SCHEMBL28526677

SCHEMBL28526677

CCc1c(S(C)(=O)=O)ccc(C(=O)O)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
CA12 O43570 3/20 0.36

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
SCHEMBL6605776 0.85 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1CA12CA9
SCHEMBL30595097 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1GABRPGABRD
SCHEMBL8138242 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1GABRPGABRD
SCHEMBL5470517 0.83 LMNA (0.34) ALDH1A1LMNAMAPK1ALOX15BCAT2
SCHEMBL28519054 0.82 LMNA (0.41) ALDH1A1LMNAGABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL5473450 0.81 LMNA (0.33) ALDH1A1LMNAMAPK1ALOX15BCAT2
SCHEMBL10901788 0.80 GABRP (0.43) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL3714511 0.79 KAT6A (0.35) ALDH1A1LMNAMAPK1GABRPGABRD
SCHEMBL29120783 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1SMN1; SMN2ALOX15
SCHEMBL1358700 0.77 ALDH1A1 (0.40) ALDH1A1LMNAMAPK1ALOX15BCAT2

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
CN-112313209-A Herbicidal compounds 先正达农作物保护股份公司 2021-02-02 CN disclosed