SCHEMBL6382057

SCHEMBL6382057

CC1(Oc2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.75
▸ MMP2 P08253 1/20 0.52
▸ MAOB P27338 9/20 0.50
▸ MAOA P21397 3/20 0.50
▸ APP P05067 1/20 0.49
▸ NR4A2 P43354 1/20 0.48
▸ PTPN1 P18031 1/20 0.45
▸ MMP14 P50281 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL6383331 0.86 MMP13 (0.54) MMP13MMP2MAOBMAOAAPP
SCHEMBL6377111 0.86 MMP13 (0.70) MMP13MMP2MAOBMAOANR4A2
SCHEMBL6378906 0.82 MMP13 (0.90) MMP13MMP2MAOBMAOAMMP14
SCHEMBL6377115 0.82 MMP13 (0.90) MMP13MMP2MMP14
SCHEMBL6377995 0.80 MMP13 (0.60) MMP13MMP2MAOBNR4A2PTPN1
SCHEMBL542505 0.78 MEN1 (0.57) MMP13MMP2MAOBMAOAAPP
SCHEMBL10991891 0.74 MAOB (0.80) MAOBMAOAAPPNR4A2NPC1
SCHEMBL6378488 0.71 MMP13 (0.56) MMP13
SCHEMBL11600066 0.71 MAOB (0.69) MAOBMAOAAPPNR4A2NPC1
SCHEMBL3624903 0.71 MAOB (0.69) MAOBMAOAAPPNR4A2NPC1

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
Send feedback