SCHEMBL9370526

SCHEMBL9370526

COc1ccc(C(S)CS)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.47
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL14399554 0.77 AOC3 (0.50) AOC3ALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL487296 0.74 AOC3 (0.50) AOC3SMN1; SMN2NPC1RAB9APOLB
SCHEMBL6026118 0.72 AOC3 (0.49) AOC3ALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL4958714 0.72 AOC3 (0.53) AOC3SMN1; SMN2NPC1RAB9ACYP1A1
SCHEMBL10451375 0.72 AOC3 (0.53) AOC3ALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL8910974 0.72 AOC3 (0.49) AOC3SMN1; SMN2NPC1RAB9APOLB
SCHEMBL18287882 0.72 AOC3 (0.57) AOC3ALOX5SMN1; SMN2NPC1RAB9A
SCHEMBL30701949 0.72 CA9 (0.50) AOC3SMN1; SMN2POLBCYP1A1CYP1B1
SCHEMBL3674074 0.72 CA9 (0.50) AOC3SMN1; SMN2POLBCYP1A1CYP1B1
SCHEMBL22571301 0.72 AOC3 (0.49) AOC3ALOX5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574510-A4 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS INNOVATIVE TECH CENTER (US) 1994-07-06 EP disclosed
EP-0574510-A1 NEOLIGNAN DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS AND 5-LIPOXYGENASE INHIBITORS CENTER FOR INNOVATIVE TECHNOLOGY (US) 1993-12-22 EP disclosed