SCHEMBL9752907

SCHEMBL9752907

CCCOC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PPM1B O75688 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 0.89 PPARG (0.47) ALDH1A1LMNACHRM2CHRM1TSHR
SCHEMBL10400577 0.88 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TSHRTDP1
SCHEMBL10400814 0.87 TSHR (0.43) ALDH1A1LMNAKMT2ACHRM2CHRM1
SCHEMBL9752831 0.87 TDP1 (0.39) ALDH1A1LMNACHRM2CHRM1TSHR
SCHEMBL9752005 0.80 MAOA (0.42) ALDH1A1KMT2AGAATSHRCYP1A2
SCHEMBL10399931 0.79 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AMEN1TSHR
SCHEMBL9752011 0.78 ALDH1A1 (0.43) ALDH1A1KMT2ACHRM1MEN1GAA
SCHEMBL9752833 0.77 KMT2A (0.35) KMT2ATSHRTDP1
SCHEMBL9753155 0.77 MAOA (0.39) TSHRNISCHMAOAMAOB
SCHEMBL10400768 0.77 MAOA (0.39) LMNATSHRNISCHMAOAMAOB

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