SCHEMBL28011663

SCHEMBL28011663

C1CCC(C2CCCC2)C1.O=C(Oc1ccccc1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.58
STAT3 P40763 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
SLC6A3 Q01959 1/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
HSD17B10 Q99714 2/20 0.50
JAK2 O60674 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.48
SERPINE1 P05121 1/20 0.47

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
SCHEMBL725404 0.84 KMT2A (0.76) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL16050041 0.82 KMT2A (0.73) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
Bromide SCHEMBL29588519 0.82 KMT2A (0.73) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
SCHEMBL28818827 0.82 KMT2A (0.49) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
SCHEMBL3737605 0.80 PTGDR2 (0.60) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
Acetic Acid SCHEMBL29588064 0.79 KMT2A (0.68) KMT2AALDH1A1CYP1A2CYP2C9MAPT
Biphenyl SCHEMBL1395749 0.79 TSHR (0.68) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2510440 0.78 KMO (0.51) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
SCHEMBL6972608 0.77 KMT2A (0.66) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9
SCHEMBL27853856 0.77 KMT2A (0.66) KMT2ASTAT3ALDH1A1CYP1A2CYP2C9

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
CN-104860826-A Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES LLC 2015-08-26 CN disclosed
CN-102741215-B Production of substituted phenylene aromatic diesters DOW GLOBAL TECHNOLOGIES INC 2015-04-29 CN disclosed