SCHEMBL7623701

SCHEMBL7623701

CCc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(CC)cc2)C(CCOC(=O)OOC(=O)c2ccc(CC)cc2)COC(=O)OOC(=O)c2ccc(CC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLK1 P53350 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ESR1 P03372 3/20 0.36
TSHR P16473 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 1/20 0.35
RXRA P19793 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
SCHEMBL7627390 0.93 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1MAPK1PKM
SCHEMBL7628397 0.93 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1MAPK1PKM
SCHEMBL7623591 0.91 PLK1 (0.39) ALDH1A1TAS1R3TAS1R1MAPK1PKM
SCHEMBL7634343 0.89 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1MAPK1PKM
SCHEMBL7629587 0.89 RARB (0.42) ALDH1A1MAPK1HSD17B10PLK1LMNA
SCHEMBL7625146 0.87 RARB (0.43) ALDH1A1MEN1KMT2AMAPT
SCHEMBL7631414 0.87 ADRB2 (0.42) ALDH1A1MAPK1PKMHSD17B10TDP1
SCHEMBL7633652 0.86 THRA (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL7632609 0.85 ALDH1A1 (0.47) ALDH1A1TAS1R3TAS1R1PLK1POLB
SCHEMBL7625523 0.85 CA1 (0.45) ALDH1A1TAS1R3TAS1R1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed