SCHEMBL9764817

SCHEMBL9764817

C=CC(=O)N(O)CCc1ccc2c(c1)sc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.35
GPR3 P46089 1/20 0.35
ALOX5 P09917 4/20 0.34
LMNA P02545 3/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.33
DHODH Q02127 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL9764833 0.83 ALOX5 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL9764837 0.82 ALDH1A1 (0.39) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764870 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764820 0.80 ALOX5 (0.45) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764853 0.79 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL10559630 0.76 ALOX5 (0.42) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764866 0.75 ALOX5 (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL15858582 0.73 MAPT (0.40) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL19768715 0.73 GPR3 (0.56) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL9764852 0.72 PLA2G10 (0.40) ALOX5

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