SCHEMBL11068529

SCHEMBL11068529

O=S(=O)(c1ccc(OCCc2ccccc2)cc1-c1ccc(O)cc1)c1ccc(OCCc2ccccc2)cc1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.49
MAOA P21397 8/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
PPARG P37231 1/20 0.45
FFAR1 O14842 2/20 0.44
MCL1 Q07820 1/20 0.44
BCL2A1 Q16548 1/20 0.44
GSTP1 P09211 1/20 0.42
EGFR P00533 1/20 0.41
IGF1R P08069 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GP6 Q9HCN6 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL11048777 0.88 DRD4 (0.44) MAOBMAOAFFAR1GSTP1NPC1
SCHEMBL50524 0.88 CYP1A2 (0.55) MAOBMAOAMCL1GSTP1RAB9A
SCHEMBL26136117 0.82 GAA (0.51) MAOBMAOACA12CA1CA2
SCHEMBL11046970 0.82 GAA (0.58) MAOBMAOAFFAR1MCL1NPC1
SCHEMBL28130356 0.80 GSTP1 (0.56) MAOBMAOACA12CA1CA2
SCHEMBL11044614 0.80 FFAR4 (0.43) MAOBMAOAFFAR1NPC1HDAC6
SCHEMBL11045695 0.79 NR5A1 (0.57) NPC1RAB9A
SCHEMBL338282 0.79 NR5A1 (0.57) NPC1RAB9A
SCHEMBL11068583 0.79 NR5A1 (0.57) NPC1RAB9A
SCHEMBL11046793 0.79 NR5A1 (0.57) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4446209-A Heat-sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1984-05-01 US disclosed