SCHEMBL9770321

SCHEMBL9770321

Oc1ccc(SCC(O)COc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.76
PKM P14618 1/20 0.49
KMT2A Q03164 2/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CHRNA7 P36544 1/20 0.44
MMP3 P08254 1/20 0.44
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9480490 0.91 BACE1 (0.80) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770570 0.90 BACE1 (0.76) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770465 0.89 BACE1 (0.76) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770389 0.88 BACE1 (0.64) BACE1KMT2AHSD17B10GAA
SCHEMBL9770535 0.85 BACE1 (0.57) BACE1PKMKMT2AKDM1AMAOA
SCHEMBL9770440 0.84 BACE1 (0.70) BACE1KMT2AMEN1LMNAALDH1A1
SCHEMBL9770149 0.83 BACE1 (0.67) BACE1KMT2AMEN1ALDH1A1PTGS1
SCHEMBL9770401 0.83 BACE1 (0.67) BACE1NPC1RAB9ALMNAALDH1A1
SCHEMBL9770412 0.83 BACE1 (0.67) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770562 0.83 BACE1 (0.67) BACE1KMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US claimed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP claimed
US-5071822-A Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability KAO CORPORATION (JP) 1991-12-10 US disclosed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed