SCHEMBL9770406

SCHEMBL9770406

Cc1ccc(OCC(O)CSc2ccc(O)cc2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.60
PPARD Q03181 1/20 0.46
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HPGD P15428 1/20 0.42
ADRB2 P07550 3/20 0.40
ADRB1 P08588 2/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
ADRB3 P13945 1/20 0.39
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ESR1 P03372 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL9770570 0.85 BACE1 (0.76) BACE1PPARDKMT2ASMN1; SMN2MAPT
SCHEMBL9770562 0.85 BACE1 (0.67) BACE1PPARDKMT2ASMN1; SMN2MAPT
SCHEMBL9770444 0.85 BACE1 (0.64) BACE1PPARDKMT2ASMN1; SMN2PTGS1
SCHEMBL9770402 0.83 BACE1 (0.58) BACE1KMT2ASMN1; SMN2MAPTADRB2
SCHEMBL9770149 0.82 BACE1 (0.67) BACE1KMT2AMAPTPTGS1SLC6A2
SCHEMBL9770412 0.82 BACE1 (0.67) BACE1PPARDKMT2ASMN1; SMN2MAPT
SCHEMBL9770503 0.82 BACE1 (0.57) BACE1PPARDKMT2APTGS1SLC6A2
SCHEMBL9770439 0.81 BACE1 (0.60) BACE1PPARDKMT2ASMN1; SMN2PTGS1
SCHEMBL9770377 0.81 BACE1 (0.67) BACE1SMN1; SMN2HPGDPOLBRAB9A
SCHEMBL9770536 0.81 BACE1 (0.62) BACE1KMT2ASMN1; SMN2ADRB3L3MBTL1

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