SCHEMBL9770401

SCHEMBL9770401

Oc1ccc(SCC(O)COc2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.67
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KCNH2 Q12809 2/20 0.51
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
MAPK1 P28482 2/20 0.45
CACNA1G O43497 1/20 0.44
ADRB1 P08588 4/20 0.43
ADRB3 P13945 4/20 0.43
ADRB2 P07550 3/20 0.43
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
NPY1R P25929 1/20 0.41
LMNA P02545 1/20 0.41
PPARD Q03181 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL9770570 0.92 BACE1 (0.76) BACE1NPC1RAB9AKCNH2PTGS1
SCHEMBL23414267 0.87 NPC1 (0.58) BACE1NPC1RAB9AKCNH2CYP1A2
SCHEMBL9770424 0.87 BACE1 (0.59) BACE1NPC1RAB9AKCNH2CYP1A2
SCHEMBL5476778 0.87 NPC1 (0.68) BACE1NPC1RAB9AKCNH2CYP1A2
SCHEMBL9770562 0.85 BACE1 (0.67) BACE1NPC1RAB9ACYP1A2PTGS1
SCHEMBL9770412 0.85 BACE1 (0.67) BACE1NPC1RAB9APTGS1SLC6A2
SCHEMBL9770149 0.85 BACE1 (0.67) BACE1PTGS1SLC6A2MAPK1ADRB1
SCHEMBL9770369 0.85 BACE1 (0.67) BACE1NPC1RAB9AKCNH2PTGS1
SCHEMBL9480490 0.85 BACE1 (0.80) BACE1NPC1RAB9AKCNH2CYP1A2
SCHEMBL9770439 0.85 BACE1 (0.60) BACE1NPC1RAB9AKCNH2PTGS1

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
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
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