SCHEMBL6383266

SCHEMBL6383266

CN1CC(COc2ccc(OC3(C)C(=O)NC(=O)NC3=O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.51
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ HPGD P15428 2/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MMP14 P50281 2/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL6378488 0.86 MMP13 (0.56) MMP13HPGDTDP1
SCHEMBL6376216 0.84 MMP13 (0.54) MMP13MAOAMAOBHPGDTDP1
SCHEMBL6378041 0.84 MMP13 (0.54) MMP13MAOAMAOBMMP2HPGD
SCHEMBL25975202 0.70 APP (0.41) MAOAMAOBTDP1
SCHEMBL27038617 0.70 KDM4E (0.46) TDP1
SCHEMBL10267768 0.70 DRD4 (0.48) HPGD
SCHEMBL12050033 0.70 CARM1 (0.53) TDP1GRM2
SCHEMBL6377111 0.70 MMP13 (0.70) MMP13MAOAMAOBMMP2HPGD
SCHEMBL6378455 0.68 MMP14 (0.60) MMP13MMP2MMP3MMP9LMNA
SCHEMBL26075687 0.68 PARP10 (0.69) MAOB

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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