SCHEMBL7307399

SCHEMBL7307399

O=C(O)CC1(Sc2ccc(Oc3ccccc3)cc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
FFAR1 O14842 2/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
EGLN2 Q96KS0 2/20 0.39
EGLN1 Q9GZT9 2/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
MAPT P10636 1/20 0.39
SRD5A2 P31213 3/20 0.38
RNF4 P78317 1/20 0.38
PARP10 Q53GL7 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
EPHX1 P07099 1/20 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
SCHEMBL7303726 0.99 ALDH1A1 (0.44) ALDH1A1FFAR1MEN1GLAKMT2A
SCHEMBL7305353 0.87 MMP1 (0.48) ALDH1A1MEN1GLAKMT2ALMNA
SCHEMBL7298947 0.86 MMP1 (0.47) ALDH1A1FFAR1KMT2ALMNAEGLN2
SCHEMBL7306362 0.85 MMP1 (0.49) ALDH1A1MEN1GLAKMT2ALMNA
SCHEMBL7310236 0.83 HSD11B1 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7309991 0.82 LMNA (0.41) ALDH1A1MEN1GLAKMT2ALMNA
SCHEMBL618046 0.82 FFAR1 (0.41) ALDH1A1FFAR1KMT2AUSP2HPGD
SCHEMBL7299168 0.80 LMNA (0.39) ALDH1A1MEN1GLAKMT2ALMNA
SCHEMBL7308120 0.78 OPRK1 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6658727 0.77 ADAM17 (0.47) ALDH1A1KMT2A

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