SCHEMBL7311124

SCHEMBL7311124

O=C(O)CC1(Sc2ccc(Oc3ccc(Br)cc3)cc2)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.41
MMP14 P50281 6/20 0.40
SRD5A2 P31213 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MMP13 P45452 7/20 0.38
MMP2 P08253 6/20 0.38
MMP3 P08254 5/20 0.38
MMP9 P14780 5/20 0.38
MMP8 P22894 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
MMP7 P09237 2/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL7298947 0.90 MMP1 (0.47) MMP1MMP14SRD5A2ALDH1A1MMP13
SCHEMBL7303599 0.88 MMP1 (0.49) MMP1MMP14ALDH1A1MMP13MMP2
SCHEMBL7312678 0.88 MMP1 (0.43) MMP1MMP14ALDH1A1MMP13MMP2
SCHEMBL7304251 0.88 MMP1 (0.47) MMP1MMP14ALDH1A1MMP13MMP2
SCHEMBL7304792 0.81 MMP1 (0.60) MMP1MMP14ALDH1A1MMP13MMP2
SCHEMBL7303726 0.78 ALDH1A1 (0.44) MMP1SRD5A2ALDH1A1MEN1KMT2A
SCHEMBL7308395 0.77 MMP1 (0.48) MMP1MMP14MMP13MMP2MMP3
SCHEMBL7301981 0.77 MMP1 (0.61) MMP1MMP14MMP13MMP2MMP3
SCHEMBL7307399 0.76 ALDH1A1 (0.43) SRD5A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL7307885 0.75 PLA2G2A (0.36) ALDH1A1LMNATSHRHTTSMN1; SMN2

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