SCHEMBL6016111

SCHEMBL6016111

C=CC(Cl)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
CYP2A6 P11509 1/20 0.38
HTR2A P28223 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ACP3 P15309 1/20 0.38

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
SCHEMBL11196169 0.79 ACE (0.45) MMP13HPGDALDH1A1ALOX15ALOX12
SCHEMBL3811256 0.78 EPHX1 (0.44) ANPEPMEN1KMT2ACYP2A6TAAR1
SCHEMBL21582183 0.76 ALDH1A1 (0.44) HPGDALDH1A1ALOX15ALOX12CASP1
SCHEMBL13879583 0.75 MMP13 (0.47) MMP13ALDH1A1ANPEPERAP1ERAP2
SCHEMBL2817896 0.75 MMP13 (0.47) MMP13ALDH1A1ANPEPERAP1ERAP2
SCHEMBL13078843 0.75 MMP13 (0.40) MMP13HPGDALDH1A1ALOX15ALOX12
SCHEMBL29829329 0.75 TSHR (0.44) HPGDALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9819003 0.75 HTR2A (0.52) HPGDALDH1A1ALOX15ALOX12CASP1
SCHEMBL4237177 0.75 ALDH1A1 (0.48) HPGDALDH1A1ALOX15ALOX12CASP1
SCHEMBL29187623 0.75 ALDH1A1 (0.48) HPGDALDH1A1ALOX15ALOX12CASP1

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
US-7064179-B1 Peg-based macromonomers, chemically inert polymers prepared therefrom and the use of these polymers for organic synthesis and enzyme reactions CARLSBERG A/S (DK) 2006-06-20 US disclosed
EP-1137690-A2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS Carlsberg A/S (DK) 2001-10-04 EP disclosed
WO-2000018823-A2 PEG-BASED MACROMONOMERS, CHEMICALLY INERT POLYMERS PREPARED THEREFROM AND THE USE OF THESE POLYMERS FOR ORGANIC SYNTHESIS AND ENZYME REACTIONS CARLSBERG A/S (DK) 2000-04-06 WO disclosed