SCHEMBL9764829

SCHEMBL9764829

NC(=O)N(O)CCc1cc2sc3ccccc3c2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 7/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR3 P46089 1/20 0.35
IKBKB O14920 1/20 0.35
LIMK1 P53667 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34

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
SCHEMBL9764866 0.81 ALOX5 (0.43) ALOX5CYP1A2ALDH1A1MAPTHPGD
SCHEMBL9764833 0.81 ALOX5 (0.43) ALOX5CYP1A2ALDH1A1MAPTHPGD
SCHEMBL9764814 0.78 ALOX5 (0.45) ALOX5GPR3IKBKBLIMK1
SCHEMBL9764904 0.76 ALOX5 (0.49) ALOX5CYP1A2ALDH1A1MAPTHPGD
SCHEMBL10559630 0.76 ALOX5 (0.42) ALOX5CYP1A2ALDH1A1MAPTHPGD
SCHEMBL10559925 0.70 ALOX5 (0.57) ALOX5CYP1A2ALOX15LMNAALOX12
SCHEMBL9764852 0.70 PLA2G10 (0.40) ALOX5
SCHEMBL3877060 0.69 GPR3 (0.61) ALOX5CYP1A2ALDH1A1MAPTHPGD
Urea SCHEMBL9764918 0.69 ALOX5 (0.56) ALOX5CYP1A2ALOX15LMNAALOX12
SCHEMBL436458 0.69 CYP2A6 (0.51) ALOX5CYP1A2ALOX15LMNAALOX12

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