SCHEMBL9770438

SCHEMBL9770438

COc1cccc(OCC(O)CSc2ccc(O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
BACE1 P56817 1/20 0.58
KDM4E B2RXH2 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 2/20 0.48
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
CASR P41180 1/20 0.46
ADRB3 P13945 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44

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
SCHEMBL9770395 0.91 BACE1 (0.59) TSHRMAPK1BACE1KDM4EMAPT
SCHEMBL9770536 0.88 BACE1 (0.62) TSHRMAPK1BACE1KDM4EL3MBTL1
SCHEMBL9770402 0.87 BACE1 (0.58) TSHRMAPK1BACE1L3MBTL1TP53
SCHEMBL9770149 0.86 BACE1 (0.67) MAPK1BACE1KDM4EMAPTADRB3
SCHEMBL9770403 0.86 BACE1 (0.58) TSHRMAPK1BACE1KDM4EL3MBTL1
SCHEMBL9770232 0.86 BACE1 (0.64) TSHRMAPK1BACE1KDM4EL3MBTL1
SCHEMBL9770148 0.84 BACE1 (0.58) TSHRMAPK1BACE1KDM4EL3MBTL1
SCHEMBL9770455 0.84 BACE1 (0.58) TSHRMAPK1BACE1L3MBTL1HIF1A
SCHEMBL9480490 0.83 BACE1 (0.80) TSHRMAPK1BACE1KDM4EL3MBTL1
SCHEMBL9770407 0.83 BACE1 (0.52) TSHRMAPK1BACE1KDM4EL3MBTL1

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