SCHEMBL9770474

SCHEMBL9770474

Oc1ccc(OCC(O)CSc2cccc(O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.62
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
PPARD Q03181 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB3 P13945 6/20 0.42
ADRB2 P07550 4/20 0.42
ADRB1 P08588 4/20 0.42
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9770448 0.91 BACE1 (0.59) BACE1NPC1RAB9APPARDKMT2A
SCHEMBL9770331 0.91 BACE1 (0.52) BACE1NPC1RAB9APPARDKMT2A
SCHEMBL9770507 0.91 BACE1 (0.52) BACE1NPC1RAB9APTGS1SLC6A2
SCHEMBL9770497 0.91 NPC1 (0.57) BACE1NPC1RAB9APPARDKMT2A
SCHEMBL9770535 0.89 BACE1 (0.57) BACE1NPC1RAB9APPARDKMT2A
SCHEMBL9770472 0.86 MAPT (0.58) BACE1PPARD
SCHEMBL9770536 0.86 BACE1 (0.62) BACE1NPC1RAB9AKMT2AHSD17B10
SCHEMBL9770581 0.85 ALDH1A1 (0.48) BACE1KMT2ASMN1; SMN2
SCHEMBL9770370 0.85 BACE1 (0.53) BACE1PPARDKMT2ASMN1; SMN2
SCHEMBL9770570 0.85 BACE1 (0.76) BACE1NPC1RAB9APTGS1SLC6A2

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