SCHEMBL9764876

SCHEMBL9764876

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL9764824 0.81 NPC1 (0.43) MAPTALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL9764833 0.78 ALOX5 (0.43) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764820 0.77 ALOX5 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Ammonia Solution, Strong SCHEMBL9764837 0.74 ALDH1A1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10559541 0.74 ALOX5 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10559630 0.73 ALOX5 (0.42) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25721910 0.72 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9764912 0.70 ALOX5 (0.47) MAPTALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9764866 0.70 ALOX5 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9764853 0.69 ALDH1A1 (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 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