SCHEMBL9770232

SCHEMBL9770232

Oc1ccc(SCC(O)COc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.64
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
LTA4H P09960 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAPK1 P28482 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 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
SCHEMBL9770465 0.91 BACE1 (0.76) BACE1KMT2AHSD17B10LTA4HNR1H2
SCHEMBL9480490 0.88 BACE1 (0.80) BACE1KMT2AHSD17B10MAPK1TSHR
SCHEMBL9770389 0.87 BACE1 (0.64) BACE1KMT2AHSD17B10PRMT5WDR77
SCHEMBL9770536 0.87 BACE1 (0.62) BACE1KMT2AHSD17B10MAPK1PRMT5
SCHEMBL9770438 0.86 TSHR (0.59) BACE1MAPK1TSHRHIF1AMAPT
SCHEMBL9770402 0.83 BACE1 (0.58) BACE1KMT2AMAPK1TSHRHIF1A
SCHEMBL9770148 0.83 BACE1 (0.58) BACE1KMT2AHSD17B10MAPK1TSHR
SCHEMBL9770455 0.83 BACE1 (0.58) BACE1KMT2AHSD17B10MAPK1PRMT5
SCHEMBL9770403 0.82 BACE1 (0.58) BACE1KMT2ALTA4HMAPK1TSHR
SCHEMBL9770377 0.82 BACE1 (0.67) BACE1SMN1; SMN2KDM4E

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