SCHEMBL9528706

SCHEMBL9528706

CCc1cc(CCl)ncc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.60
GABRD O14764 4/20 0.60
GABRA1 P14867 4/20 0.60
GABRB1 P18505 4/20 0.60
GABRG2 P18507 4/20 0.60
GABRB3 P28472 4/20 0.60
GABRA5 P31644 4/20 0.60
GABRA3 P34903 4/20 0.60
GABRA2 P47869 4/20 0.60
GABRB2 P47870 4/20 0.60
GABRA4 P48169 4/20 0.60
GABRE P78334 4/20 0.60
GABRA6 Q16445 4/20 0.60
GABRG1 Q8N1C3 4/20 0.60
GABRG3 Q99928 4/20 0.60
GABRQ Q9UN88 4/20 0.60
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LDHA P00338 1/20 0.35
SGK1 O00141 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
SCHEMBL4004689 0.80 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19857498 0.77 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20033622 0.77 GABRP (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13611417 0.76 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2859500 0.75 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4176344 0.74 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28933112 0.74 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28571365 0.74 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27351041 0.73 NOS3 (0.36) SMN1; SMN2
SCHEMBL16421183 0.71 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2

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
EP-0394476-B1 NOVEL 1,3,4-THIADIAZOLE DERIVATIVES AND ANTIULCER AGENTS CONTAINING SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1993-07-28 EP claimed