SCHEMBL9770402

SCHEMBL9770402

Cc1cccc(OCC(O)CSc2ccc(O)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.58
ADRB2 P07550 3/20 0.53
ADRB1 P08588 3/20 0.53
KMT2A Q03164 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 4/20 0.48
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL9770536 0.88 BACE1 (0.62) BACE1KMT2AL3MBTL1TSHRMAPK1
SCHEMBL9770438 0.87 TSHR (0.59) BACE1L3MBTL1MAPTTSHRMAPK1
SCHEMBL9770148 0.84 BACE1 (0.58) BACE1KMT2AL3MBTL1HTTTSHR
SCHEMBL9770455 0.84 BACE1 (0.58) BACE1ADRB2ADRB1KMT2AL3MBTL1
SCHEMBL9770403 0.84 BACE1 (0.58) BACE1KMT2AL3MBTL1MEN1MAPT
SCHEMBL9770562 0.83 BACE1 (0.67) BACE1ADRB2ADRB1KMT2AMEN1
SCHEMBL9480490 0.83 BACE1 (0.80) BACE1ADRB2ADRB1KMT2AL3MBTL1
SCHEMBL9770407 0.83 BACE1 (0.52) BACE1ADRB2ADRB1KMT2AL3MBTL1
SCHEMBL9770389 0.83 BACE1 (0.64) BACE1KMT2AGAA
SCHEMBL9770232 0.83 BACE1 (0.64) BACE1KMT2AL3MBTL1MAPTHTT

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