SCHEMBL9686955

SCHEMBL9686955

CCCCCc1scc(C(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.41
PPARG P37231 2/20 0.41
KAT8 Q9H7Z6 4/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
GPR35 Q9HC97 5/20 0.40

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
SCHEMBL3221087 0.88 GABRP (0.37) PPARAPPARGGABRPGABRDGABRA1
SCHEMBL9724742 0.84 KDM4E (0.42) GPR35TSHR
SCHEMBL11716144 0.84 LTB4R (0.40) TSHR
SCHEMBL3084169 0.81 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11110073 0.79 KDM4E (0.43) TSHR
Hydrochloric Acid SCHEMBL11110068 0.78 KDM4E (0.42) TSHR
SCHEMBL9485153 0.77 PPARA (0.41) PPARAPPARGKAT8GPR35BID
SCHEMBL17433631 0.77 GABRP (0.40) PPARAPPARGKAT8GABRPGABRD
Benzene SCHEMBL28708360 0.74 MEN1 (0.44) PPARAPPARGKAT8GPR35BID
SCHEMBL1342655 0.73 GPR35 (0.48) PPARAPPARGKAT8GPR35RARA

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-0245053-B1 HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS ICI AMERICAS INC. (US) 1992-11-25 EP disclosed