SCHEMBL9770536

SCHEMBL9770536

Oc1ccc(SCC(O)COc2cccc(O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.62
ADRB3 P13945 1/20 0.44
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APP P05067 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
GAA P10253 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
ACE2 Q9BYF1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9770455 0.88 BACE1 (0.58) BACE1ADRB3MAPK1TSHRHIF1A
SCHEMBL9770148 0.88 BACE1 (0.58) BACE1MAPK1TSHRHIF1AKMT2A
SCHEMBL9770402 0.88 BACE1 (0.58) BACE1ADRB3MAPK1TSHRHIF1A
SCHEMBL9770438 0.88 TSHR (0.59) BACE1ADRB3MAPK1TSHRHIF1A
SCHEMBL9480490 0.87 BACE1 (0.80) BACE1ADRB3MAPK1TSHRHIF1A
SCHEMBL9770232 0.87 BACE1 (0.64) BACE1MAPK1TSHRHIF1AKMT2A
SCHEMBL9770389 0.87 BACE1 (0.64) BACE1KMT2AHSD17B10GAAPRMT5
SCHEMBL9770474 0.86 BACE1 (0.62) BACE1ADRB3KMT2AHSD17B10SMN1; SMN2
SCHEMBL9770570 0.85 BACE1 (0.76) BACE1ADRB3KMT2AHSD17B10SMN1; SMN2
SCHEMBL9770504 0.84 BACE1 (0.58) BACE1MAPK1TSHRHIF1AKMT2A

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-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