SCHEMBL9764820

SCHEMBL9764820

CCCC(=O)N(O)CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.45
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39

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
Ammonia Solution, Strong SCHEMBL9764837 0.85 ALDH1A1 (0.39) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL9764833 0.83 ALOX5 (0.43) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764870 0.81 ALDH1A1 (0.38) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764817 0.80 ALDH1A1 (0.37) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL25721910 0.78 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9764895 0.78 NPC1 (0.47) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL9764876 0.77 GABRP (0.35) ALOX5GABRPGABRDGABRA1GABRB1
SCHEMBL9764853 0.76 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10559630 0.76 ALOX5 (0.42) ALOX5ALDH1A1MAPTHPGDRAB9A
SCHEMBL9764866 0.75 ALOX5 (0.43) ALOX5GABRPGABRDGABRA1GABRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422079-A4 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE 1991-08-21 EP disclosed
EP-0422079-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1991-04-17 EP disclosed
WO-1989012636-A1 TRICYCLIC LIPOXYGENASE INHIBITING COMPOUNDS, COMPOSITIONS, METHODS OF USE ABBOTT LABORATORIES (US) 1989-12-28 WO disclosed