SCHEMBL7416152

SCHEMBL7416152

COC(=O)CC1(NC(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.50
MMP7 P09237 2/20 0.50
ADAMTS4 O75173 1/20 0.50
ADAM17 P78536 1/20 0.50
ADAMTS1 Q9UHI8 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MMP1 P03956 4/20 0.46
EZH2 Q15910 1/20 0.45
CCR1 P32246 1/20 0.43
MMP13 P45452 3/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5219500 0.78 ADAM17 (0.83) MMP3MMP7ADAMTS4ADAM17ADAMTS1
SCHEMBL1756728 0.77 CCR1 (0.51) MMP3MMP7ADAMTS4ADAM17ADAMTS1
SCHEMBL8947296 0.70 MMP1 (0.68) ALDH1A1MMP1MMP13MMP2LMNA
SCHEMBL16839693 0.69 CTSC (0.42) MMP3ALDH1A1MMP1MMP13MMP2
SCHEMBL30090979 0.69 L3MBTL1 (0.56) L3MBTL1ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL21198730 0.68 ALDH1A1 (0.51) L3MBTL1ALDH1A1CCR1LMNACYP1A2
SCHEMBL1728532 0.68 ERCC5 (0.68) MMP1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL1187191 0.68 ADRB2 (0.49) ADAM17L3MBTL1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL14351239 0.66 ANO1 (0.38) ALDH1A1CYP3A4CYP2C9CYP2C19ANO1
SCHEMBL28761123 0.66 PARP10 (0.59) MMP1MMP13MMP2LMNACYP1A2

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-1171422-A1 MMP INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP disclosed
WO-2000063165-A1 MMP INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-10-26 WO disclosed