SCHEMBL7450265

SCHEMBL7450265

CC(CCC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
EPHX2 P34913 4/20 0.46
NAMPT P43490 1/20 0.45
POLB P06746 1/20 0.44
ACACB O00763 1/20 0.44
CYP2C9 P11712 2/20 0.42
CYP2J2 P51589 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7452045 0.81 MGLL (0.54) KMT2AMEN1LMNAL3MBTL1MAPT
SCHEMBL7453246 0.80 MGLL (0.53) KMT2AMEN1LMNAL3MBTL1MAPT
SCHEMBL7639184 0.80 NAMPT (0.48) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL7456487 0.79 LMNA (0.42) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL7511899 0.78 KMT2A (0.58) KMT2AALDH1A1MEN1LMNAPOLB
SCHEMBL4576825 0.77 EPHX2 (0.56) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL1256120 0.75 EPHX2 (0.60) EPHX2CYP2C9CYP2J2HRH3CNR1
SCHEMBL7518460 0.75 NAMPT (0.48) KMT2AALDH1A1MEN1LMNAHPGD
SCHEMBL4576854 0.74 EPHX2 (0.58) EPHX2CYP2C9CYP2J2HRH3CNR1
SCHEMBL2096831 0.74 EPHX2 (0.55) ALDH1A1HPGDEPHX2NAMPTACACB

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-6455531-B1 METALLOPROTEINASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
EP-1237868-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS Darwin Discovery Limited (GB) 2002-09-11 EP disclosed
WO-2001044189-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 WO disclosed