SCHEMBL11468295

SCHEMBL11468295

COc1cc(C(=O)OC(C)Cl)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.49
PDK1 Q15118 1/20 0.48
ALDH1A1 P00352 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPT P10636 1/20 0.47
SLC29A1 Q99808 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46

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
SCHEMBL27921550 0.86 KMT2A (0.60) KMT2ASMN1; SMN2MEN1TSHRMAPK1
SCHEMBL14690465 0.78 KMT2A (0.56) KMT2ASMN1; SMN2MEN1TSHRMAPK1
SCHEMBL14646837 0.78 KMT2A (0.56) KMT2ASMN1; SMN2MEN1TSHRMAPK1
SCHEMBL8148063 0.77 MEN1 (0.61) KMT2ASMN1; SMN2MEN1TSHRMAPT
Methyl Syringate SCHEMBL211747 0.77 MEN1 (0.61) KMT2ASMN1; SMN2MEN1TSHRMAPK1
SCHEMBL27945770 0.77 KMT2A (0.52) KMT2ASMN1; SMN2MEN1TSHRMAPK1
Chloroform SCHEMBL7815652 0.77 LMNA (0.60) KMT2AMEN1MAPK1PDK1ALDH1A1
SCHEMBL7123362 0.77 MEN1 (0.56) KMT2ASMN1; SMN2MEN1TSHRMAPT
SCHEMBL669351 0.76 MEN1 (0.59) KMT2ASMN1; SMN2MEN1TSHRMAPT
SCHEMBL7960025 0.76 MEN1 (0.59) KMT2ASMN1; SMN2MEN1TSHRALDH1A1

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-4198416-A 5-Alkoxy-picolinic esters and anti-hypertensive composition containing 5-alkoxy-picolinic esters MEIJI SEIKA KAISHA, LTD. (JP) 1980-04-15 US disclosed
US-4189489-A 5-Alkoxy-picolinic acid calcium salts and anti-hypertensive composition containing 5-alkoxy-picolinic acid calcium salts and anti-hypertensive composition thereof MEIJI SEIKA KAISHA, LTD. (JP) 1980-02-19 US disclosed