SCHEMBL9752831

SCHEMBL9752831

CCCCOCCOC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PPARG P37231 5/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL9752743 0.88 PPARG (0.47) TDP1TSHRALDH1A1PPARGLMNA
SCHEMBL9752907 0.87 ALDH1A1 (0.41) TDP1TSHRALDH1A1LMNACHRM2
SCHEMBL10400814 0.83 TSHR (0.43) TSHRALDH1A1PPARGLMNAKDM4E
SCHEMBL9752833 0.79 KMT2A (0.35) TDP1TSHRL3MBTL1PPARGPPARA
SCHEMBL10399931 0.78 ALDH1A1 (0.52) TDP1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL9752005 0.74 MAOA (0.42) TSHRL3MBTL1ALDH1A1KDM4EMAPK1
Xanthene SCHEMBL28637883 0.74 TSHR (0.49) TSHRALDH1A1LMNAMAPK1NAMPT
Xanthene SCHEMBL28925232 0.72 TSHR (0.50) TDP1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL1347590 0.72 TRPA1 (0.53) TDP1TSHRL3MBTL1ALDH1A1LMNA
SCHEMBL11810103 0.72 MEN1 (0.45) TSHRALDH1A1LMNANAMPT

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
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed