SCHEMBL5639748

SCHEMBL5639748

CCc1c(C)ccc(C(=O)O)c1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
HAAO P46952 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL28733643 0.82 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7409160 0.81 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5640636 0.80 ALDH1A1 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2581660 0.79 KDM4E (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3000590 0.79 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3073816 0.78 CYP1A2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9827291 0.78 TSHR (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28629554 0.78 KDM4E (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5432825 0.78 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1965987 0.77 GABRP (0.41) 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
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed