SCHEMBL26699031

SCHEMBL26699031

C/C(=C\C(=O)O)Oc1cnc(OCc2ccccc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
PTPN1 P18031 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
MAOB P27338 3/20 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
SCHEMBL30719897 0.88 FFAR1 (0.39) FFAR1PTPN1GABRA1GABRG2GABRB3
SCHEMBL30719900 0.88 FFAR1 (0.39) FFAR1PTPN1GABRA1GABRG2GABRB3
SCHEMBL31305594 0.88 FFAR1 (0.39) FFAR1PTPN1GABRA1GABRG2GABRB3
SCHEMBL20522606 0.76 PTGER4 (0.43) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL23301902 0.74 GABRA5 (0.48) FFAR1P4HTMGABRPGABRDGABRA1
SCHEMBL29755761 0.74 GABRA5 (0.48) FFAR1P4HTMGABRPGABRDGABRA1
SCHEMBL1935936 0.74 GABRG2 (0.43) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL22712757 0.73 GABRP (0.42) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL23663360 0.72 ABCB1 (0.51) FFAR1MAOBNPC1RAB9A
SCHEMBL20522564 0.71 GABRG2 (0.48) FFAR1P4HTMGABRPGABRDGABRA1

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
WO-2023227698-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed