SCHEMBL4588928

SCHEMBL4588928

COCc1ccc(Br)cc1COC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TDP1 Q9NUW8 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PYCR1 P32322 1/20 0.37
PRKCE Q02156 2/20 0.36
MYLK Q15746 2/20 0.36

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
SCHEMBL30517254 1.00 POLB (0.41) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL4468000 0.90 POLB (0.38) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL26931901 0.88 CCR5 (0.44) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL4799391 0.84 PYCR1 (0.43) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL20633523 0.83 FFAR4 (0.40) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL582358 0.81 PYCR1 (0.46) MEN1MAPTKMT2APYCR1
SCHEMBL3476289 0.81 PYCR1 (0.51) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL16621409 0.81 POLB (0.38) POLBTDP1KDM4EALDH1A1MEN1
SCHEMBL29506818 0.81 PYCR1 (0.46) MEN1MAPTKMT2APYCR1
SCHEMBL2870657 0.81 HPGD (0.44) POLBTDP1KDM4EALDH1A1MEN1

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
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed
WO-2009001127-A1 CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS ASTRAZENECA AB (SE) 2008-12-31 WO disclosed