SCHEMBL11329318

SCHEMBL11329318

CCC(O)C(C(=O)OC)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.70
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.44
MMP8 P22894 1/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KLK7 P49862 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12924873 0.84 KMT2A (0.72) KMT2ALMNAMEN1MMP8CYP2D6
SCHEMBL17915488 0.83 KMT2A (0.70) KMT2ALMNAMEN1MMP8CYP2D6
SCHEMBL4964029 0.83 KMT2A (0.70) KMT2AMEN1MMP8CYP2D6CHRM2
SCHEMBL8021296 0.82 KMT2A (0.46) KMT2ALMNAMEN1MMP8CYP2D6
SCHEMBL27900571 0.82 CYP2D6 (0.61) KMT2ALMNAMEN1CYP2D6CHRM2
SCHEMBL6752967 0.82 KMT2A (0.81) KMT2ALMNAMEN1CYP2D6TSHR
SCHEMBL28830824 0.82 KMT2A (0.58) KMT2ALMNAMEN1MMP8CYP2D6
SCHEMBL28732213 0.80 KMT2A (0.78) KMT2ALMNAMEN1MMP8CYP2D6
SCHEMBL27815900 0.80 KMT2A (0.60) KMT2ALMNAMEN1CYP2D6TSHR
SCHEMBL27476028 0.79 KMT2A (0.64) KMT2ALMNAMEN1MMP8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106512619-B A kind of equipment and its minimizing technology of high speed rotation inhalation removal industrial dust 江苏建筑职业技术学院 2018-08-21 CN disclosed
EP-2632452-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ProMetic BioSciences Inc. (CA) 2013-09-04 EP disclosed
WO-2012097427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER PROMETIC BIOSCIENCES INC. (CA) 2012-07-26 WO disclosed