SCHEMBL9770455

SCHEMBL9770455

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.58
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CASR P41180 1/20 0.42
WDR5 P61964 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGER1 P34995 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 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
SCHEMBL9770371 0.88 BACE1 (0.45) BACE1NPC1RAB9ACASRWDR5
SCHEMBL9770536 0.88 BACE1 (0.62) BACE1NPC1RAB9AKMT2AHSD17B10
SCHEMBL9770424 0.88 BACE1 (0.59) BACE1NPC1RAB9AKMT2AHSD17B10
SCHEMBL9770148 0.84 BACE1 (0.58) BACE1RAB9AKMT2AHSD17B10TSHR
SCHEMBL9770438 0.84 TSHR (0.59) BACE1CASRTSHRMAPK1HIF1A
SCHEMBL9770402 0.84 BACE1 (0.58) BACE1KMT2ATSHRMAPK1HIF1A
SCHEMBL9770401 0.83 BACE1 (0.67) BACE1NPC1RAB9ATSHRMAPK1
SCHEMBL9480490 0.83 BACE1 (0.80) BACE1NPC1RAB9AKMT2AHSD17B10
SCHEMBL9770389 0.83 BACE1 (0.64) BACE1KMT2AHSD17B10PRMT5WDR77
SCHEMBL9770232 0.83 BACE1 (0.64) BACE1KMT2AHSD17B10TSHRMAPK1

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