SCHEMBL7628079

SCHEMBL7628079

Cc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(C)c(C)c2)C(COC(=O)OOC(=O)c2ccc(C)c(C)c2)C(CCOC(=O)OOC(=O)c2ccc(C)c(C)c2)COC(=O)OOC(=O)c2ccc(C)c(C)c2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABCB1 P08183 1/20 0.33
CES2 O00748 1/20 0.33

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
SCHEMBL7629547 0.98 RAB9A (0.35) RAB9ATAS1R3TAS1R1ALDH1A1HTT
SCHEMBL7623691 0.94 RAB9A (0.37) RAB9ATAS1R3TAS1R1ALDH1A1HTT
SCHEMBL7629425 0.86 PKM (0.38) RAB9ATAS1R3TAS1R1ALDH1A1HTT
SCHEMBL7634658 0.86 ADRB2 (0.39) RAB9AALDH1A1KMT2AMAPTGAA
SCHEMBL7632253 0.84 ADRB2 (0.43) RAB9ATAS1R3TAS1R1KMT2AMAPT
SCHEMBL7634823 0.84 ADRB2 (0.39) RAB9AALDH1A1KMT2AMAPTGAA
SCHEMBL7627960 0.84 KMT2A (0.36) TAS1R3TAS1R1ALDH1A1KMT2AGAA
SCHEMBL7631990 0.83 MAPT (0.46) RAB9AALDH1A1KMT2AMAPTGAA
SCHEMBL7628397 0.82 ALDH1A1 (0.37) RAB9ATAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL7635370 0.82 TAS1R3 (0.39) RAB9ATAS1R3TAS1R1HTTKMT2A

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