SCHEMBL9750103

SCHEMBL9750103

O=C(O)c1ccc(O)c(O)c1-c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.60
ACMSD Q8TDX5 1/20 0.60
WDR5 P61964 1/20 0.57
LDHA P00338 1/20 0.56
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HNF4A P41235 1/20 0.47
CDC25B P30305 1/20 0.46
PTPN22 Q9Y2R2 2/20 0.46
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SOS1 Q07889 1/20 0.44
THRB P10828 1/20 0.44
FTO Q9C0B1 1/20 0.43

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
SCHEMBL29458346 0.85 WDR5 (0.79) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL9124028 0.85 WDR5 (0.79) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL2651037 0.85 MCL1 (0.57) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL27542443 0.82 MCL1 (0.55) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL9794486 0.78 MCL1 (0.55) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL2534284 0.77 NR4A1 (0.63) MCL1ACMSDWDR5LDHANR4A1
Acetic Acid SCHEMBL29253717 0.77 MCL1 (0.54) MCL1ACMSDNR4A1NR4A2NR4A3
SCHEMBL29795098 0.76 WDR5 (0.74) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL28044056 0.76 MYC (0.65) MCL1ACMSDWDR5LDHANR4A1
SCHEMBL1713091 0.76 WDR5 (0.54) MCL1ACMSDWDR5LDHANR4A1

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-5084593-A Cyanine, aniline dyes for heat sensitive recording elements RICOH COMPANY, LTD. (JP) 1992-01-28 US disclosed
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed