SCHEMBL7303726

SCHEMBL7303726

O=C(O)CC1(Sc2ccc(Oc3ccccc3)cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
FFAR1 O14842 2/20 0.42
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MAPT P10636 1/20 0.40
SRD5A2 P31213 4/20 0.39
RNF4 P78317 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
PARP10 Q53GL7 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
MMP1 P03956 1/20 0.37

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
SCHEMBL7307399 0.99 ALDH1A1 (0.43) ALDH1A1FFAR1ERCC5FEN1MAPT
SCHEMBL7298947 0.88 MMP1 (0.47) ALDH1A1FFAR1SRD5A2RNF4KMT2A
SCHEMBL7306362 0.87 MMP1 (0.49) ALDH1A1ERCC5FEN1MAPTRNF4
SCHEMBL7305353 0.85 MMP1 (0.48) ALDH1A1ERCC5FEN1MAPTRNF4
SCHEMBL7310236 0.84 HSD11B1 (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL618046 0.83 FFAR1 (0.41) ALDH1A1FFAR1KMT2A
SCHEMBL7299168 0.81 LMNA (0.39) ALDH1A1ERCC5FEN1MAPTRNF4
SCHEMBL7309991 0.81 LMNA (0.41) ALDH1A1ERCC5FEN1MAPTRNF4
SCHEMBL7308120 0.79 OPRK1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7304251 0.78 MMP1 (0.47) ALDH1A1FFAR1MMP1

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed