SCHEMBL6382809

SCHEMBL6382809

CC1(Oc2ccc(OCc3ccc(F)cc3Cl)cc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 8/20 0.53
▸ RAB9A P51151 1/20 0.46
▸ PTPN1 P18031 3/20 0.45
▸ MMP2 P08253 3/20 0.44
▸ MMP14 P50281 3/20 0.44
▸ ADAMTS4 O75173 2/20 0.44
▸ ADAMTS5 Q9UNA0 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MMP1 P03956 3/20 0.41
▸ ADAM17 P78536 3/20 0.41
▸ TNF P01375 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ ADAMTS1 Q9UHI8 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ NR4A2 P43354 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL6381248 0.87 MMP13 (0.48) MMP13MMP2MMP14MMP1ADAM17
SCHEMBL6380934 0.84 MMP13 (0.45) MMP13MMP2MMP14ADAM17MAOB
SCHEMBL6377995 0.83 MMP13 (0.60) MMP13PTPN1MMP2MMP14MEN1
SCHEMBL6375122 0.82 MMP13 (0.43) MMP13MMP2MMP14ADAM17MAOB
SCHEMBL6383331 0.80 MMP13 (0.54) MMP13PTPN1MMP2MMP14MAOB
SCHEMBL6382057 0.75 MMP13 (0.75) MMP13RAB9APTPN1MMP2MMP14
SCHEMBL6377947 0.73 MMP13 (0.63) MMP13MMP2MMP14MMP3MMP9
SCHEMBL222118 0.73 MMP13 (0.63) MMP13MMP2MMP14MMP3MMP9
SCHEMBL6236731 0.73 MAOB (0.57) MMP13RAB9AMMP2MMP14ADAMTS4
SCHEMBL5921916 0.72 RAB9A (0.56) MMP13RAB9AMMP2MMP14ADAMTS4

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-1202974-B1 PYRIMIDINE-2,4,6-TRIONE METALLOPROTEINASE INHIBITORS PFIZER PROD INC (US) 2005-11-09 — — EP disclosed
US-6579982-B1 Treating inflammation, cancer PFIZER INC. 2003-06-17 — — US disclosed
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