SCHEMBL8934748

SCHEMBL8934748

C=C(c1ccccc1)C(OOC(C)(C)CCC)OOC(C)(C)CCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
PPARA Q07869 1/20 0.34
PRSS1 P07477 6/20 0.33
CTSG P08311 6/20 0.33
CTRB1 P17538 6/20 0.33
CMA1 P23946 6/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL8934712 0.80 ALDH1A1 (0.46) ELANEPPARAPRSS1CTSGCTRB1
SCHEMBL8934746 0.77 ALDH1A1 (0.40) PPARAPRSS1CTSGCTRB1CMA1
SCHEMBL8934750 0.76 ATM (0.36) ELANEPPARAPRSS1CTSGCTRB1
SCHEMBL8934668 0.76 MAPK1 (0.52) ELANETDP1ALDH1A1MAPTLMNA
SCHEMBL8934751 0.74 ALDH1A1 (0.34) ELANEPRSS1CTSGCTRB1CMA1
SCHEMBL8934708 0.73 TDP1 (0.42) ELANETDP1ALDH1A1MAPTLMNA
SCHEMBL8934663 0.71 MAPT (0.44) PPARAALDH1A1MAPTLMNATSHR
SCHEMBL28733 0.70 TDP1 (0.64) PRSS1CTSGCTRB1CMA1TDP1
SCHEMBL8934698 0.70 ATM (0.33) ELANETDP1ALDH1A1MAPTLMNA
SCHEMBL8934666 0.70 MAPK1 (0.47) ELANETDP1ALDH1A1MAPTLMNA

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
WO-1996030415-A1 ALKOXY ALLYL (DI)PEROXIDE CHAIN TRANSFER AGENTS AKZO NOBEL N.V. (NL) 1996-10-03 WO disclosed