SCHEMBL6590672

SCHEMBL6590672

CCOc1cccc(-c2ccc(C3=CCNCC3)cc2OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.54
TGFBR1 P36897 1/20 0.46
ACVR1 Q04771 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR2C P28335 5/20 0.44
CCNT1 O60563 3/20 0.42
CDK9 P50750 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HTR6 P50406 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL6587898 0.90 QDPR (0.60) QDPRTGFBR1ACVR1KCNH2HTR2C
SCHEMBL11524342 0.87 HTR2C (0.56) QDPRHTR2CSIGMAR1TLR9TLR7
SCHEMBL6586294 0.82 QDPR (0.65) QDPRTGFBR1ACVR1KCNH2HTR2C
SCHEMBL6586935 0.78 QDPR (0.50) QDPRTGFBR1ACVR1KCNH2HTR2C
SCHEMBL7394377 0.78 HTR2C (0.60) QDPRHTR2CSIGMAR1CD274HTR6
Hydrochloric Acid SCHEMBL4789235 0.77 HTR2C (0.61) QDPRHTR2CSIGMAR1HTR6CYP1A2
SCHEMBL7305529 0.74 QDPR (0.76) QDPRTGFBR1ACVR1KCNH2HTR2C
SCHEMBL20691228 0.73 CYP3A4 (0.51) PDE7APDE3APDE10ACD274CYP1A1
SCHEMBL14704745 0.73 QDPR (0.51) QDPRHTR2CSIGMAR1CD274HTR6
SCHEMBL17548153 0.73 QDPR (0.70) QDPRTGFBR1ACVR1KCNH2HTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed