SCHEMBL9808372

SCHEMBL9808372

O=C(CSc1ccc(O)cc1)CSc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
FFAR1 O14842 1/20 0.46
NR1H2 P55055 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSP90AA1 P07900 1/20 0.44
KCNH2 Q12809 1/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 1/20 0.44
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL991241 0.84 FFAR1 (0.68) CA2FFAR1NR1H2ALDH1A1SMN1; SMN2
SCHEMBL6208171 0.82 PKM (0.58) CA2FFAR1NR1H2ALDH1A1SMN1; SMN2
SCHEMBL8746034 0.82 SMN1; SMN2 (0.68) CA2FFAR1NR1H2ALDH1A1SMN1; SMN2
SCHEMBL10971632 0.82 CA2 (0.47) CA2FFAR1NR1H2ALDH1A1SMN1; SMN2
SCHEMBL3620925 0.80 CA2 (0.46) CA2FFAR1NR1H2ALDH1A1SMN1; SMN2
SCHEMBL4967452 0.80 HSP90AA1 (0.57) CA2ALDH1A1HSP90AA1KCNH2KMT2A
Ethylene Glycol SCHEMBL9808276 0.79 FFAR1 (0.61) CA2FFAR1NR1H2ALDH1A1SMN1; SMN2
SCHEMBL9179407 0.78 FFAR1 (0.74) CA2FFAR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9840272 0.77 HSP90AA1 (0.59) CA2NR1H2ALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL6239095 0.77 MAPT (0.54) CA2ALDH1A1SMN1; SMN2KMT2APOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59081190-A None JP disclosed
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed
US-4538164-A LEUCO DYE, HYDROXYPHENOLIC ETHER DEVELOPER, OIL ABSORBING FILLER RICOH CO., LTD. (JP) 1985-08-27 US disclosed
US-4529993-A Heat sensitive transfer medium RICOH CO., LTD. (JP) 1985-07-16 US disclosed
JP-S5981190-A HEAT SENSITIVE RECORDING MATERIAL RICOH CO LTD 1984-05-10 JP disclosed