SCHEMBL8246907

SCHEMBL8246907

C=CC=CC(=C)C(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
THRB P10828 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 1/20 0.36
TGM2 P21980 1/20 0.35
RAD51 Q06609 1/20 0.35
PARP10 Q53GL7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NSD2 O96028 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL11426974 0.82 ELANE (0.46) ELANETHRBKMT2AMEN1TDP1
SCHEMBL9760120 0.78 ELANE (0.46) ELANEKMT2AMEN1TDP1ATM
SCHEMBL14510762 0.78 THRB (0.36) ELANETHRBKMT2AMEN1TDP1
SCHEMBL9909074 0.77 LMNA (0.41) KMT2ATDP1L3MBTL1HSD17B10PARP10
SCHEMBL544811 0.77 ELANE (0.45) ELANETHRBKMT2AMEN1TDP1
SCHEMBL8251160 0.76 HSP90AA1 (0.40) KMT2AMEN1TDP1ATMMAOB
SCHEMBL8238681 0.75 ELANE (0.44) ELANETHRBTDP1ATML3MBTL1
Butadiene SCHEMBL11803057 0.75 ELANE (0.65) ELANETHRBKMT2ATDP1ATM
SCHEMBL20548109 0.74 HDAC3 (0.41) KMT2AMEN1TDP1MAOBMAPT
SCHEMBL5704145 0.74 ELANE (0.42) ELANEKMT2AMEN1TDP1ATM

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
EP-0996439-A1 $g(b)-ALKOXYACRYLATES AGAINST MALARIA F. HOFFMANN-LA ROCHE AG (CH) 2000-05-03 EP disclosed
WO-1999002150-A1 β-ALKOXYACRYLATES AGAINST MALARIA F. HOFFMANN-LA ROCHE AG (CH) 1999-01-21 WO disclosed