SCHEMBL9752020

SCHEMBL9752020

CCOC(=O)C1Oc2ccccc2C(C)(C)c2ccccc2O1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MDM2 Q00987 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
AKR1B1 P15121 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL32687865 0.87 ALDH1A1 (0.54) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL9128468 0.87 ALDH1A1 (0.54) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL9325886 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTCYP2D6
SCHEMBL10735223 0.79 ALDH1A1 (0.45) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL10400577 0.79 ALDH1A1 (0.47) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL9327109 0.77 POLB (0.55) MEN1KMT2ATDP1CYP2D6CYP2C19
SCHEMBL9328973 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTCYP2D6
SCHEMBL11002764 0.76 ALDH1A1 (0.44) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL7487260 0.74 NISCH (0.54) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL9274940 0.74 ALDH1A1 (0.42) TSHRALDH1A1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
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