SCHEMBL6535430

SCHEMBL6535430

C=C(C)OOC(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.71
F2 P00734 1/20 0.71
TSHR P16473 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 1/20 0.55
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
TP53 P04637 1/20 0.44
ELANE P08246 2/20 0.43
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 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
Benzoyl Peroxide SCHEMBL9643508 0.88 LMNA (0.71) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL11354728 0.87 LMNA (0.85) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL27537505 0.87 LMNA (0.85) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL10341261 0.85 LMNA (0.81) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL27699306 0.84 LMNA (0.90) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL27904824 0.84 LMNA (0.90) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL28212534 0.84 LMNA (0.90) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL2929886 0.84 LMNA (1.00) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL63 0.84 LMNA (1.00) LMNAF2TSHRTDP1ALDH1A1
Benzoyl Peroxide SCHEMBL5312311 0.84 LMNA (1.00) LMNAF2TSHRTDP1ALDH1A1

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
EP-1115738-A4 SYNTHESIS OF CYCLIC PEPTIDES UNIV QUEENSLAND (AU) 2004-09-01 EP disclosed
EP-1115738-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2001-07-18 EP disclosed
WO-2000018790-A1 SYNTHESIS OF CYCLIC PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2000-04-06 WO disclosed