SCHEMBL9770448

SCHEMBL9770448

Oc1cccc(SCC(O)COc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.59
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.42
PPARD Q03181 1/20 0.42
CYP2D6 P10635 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 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
SCHEMBL9770535 0.92 BACE1 (0.57) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770474 0.91 BACE1 (0.62) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770507 0.88 BACE1 (0.52) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770497 0.88 NPC1 (0.57) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770331 0.88 BACE1 (0.52) BACE1KMT2ANPC1RAB9APPARD
SCHEMBL9770370 0.88 BACE1 (0.53) BACE1KMT2ALMNAPPARDCYP2D6
SCHEMBL9770514 0.87 CA1 (0.45) BACE1KMT2AHSD17B10RAB9ALMNA
SCHEMBL9770371 0.87 BACE1 (0.45) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9480490 0.84 BACE1 (0.80) BACE1KMT2AHSD17B10NPC1RAB9A
SCHEMBL9770472 0.83 MAPT (0.58) BACE1LMNAPPARDMAPT

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 2 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 disclosed
EP-0338587-A2 Recording material KAO CORPORATION (JP) 1989-10-25 EP disclosed