SCHEMBL6378488

SCHEMBL6378488

CC1(Oc2ccc(OCC3CC3)cc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.56
▸ HPGD P15428 6/20 0.45
▸ PARP15 Q460N3 6/20 0.44
▸ PARP10 Q53GL7 6/20 0.44
▸ PARP2 Q9UGN5 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL6378041 0.94 MMP13 (0.54) MMP13HPGDPARP15PARP10PARP2
SCHEMBL6376216 0.94 MMP13 (0.54) MMP13HPGDPARP15PARP10PARP2
SCHEMBL6383266 0.86 MMP13 (0.51) MMP13HPGDTDP1
SCHEMBL6377111 0.73 MMP13 (0.70) MMP13HPGD
SCHEMBL29024848 0.73 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL6378455 0.72 MMP14 (0.60) MMP13PARP15PARP10PARP2
SCHEMBL6382057 0.71 MMP13 (0.75) MMP13
SCHEMBL6383331 0.71 MMP13 (0.54) MMP13PARP10
SCHEMBL6381224 0.70 MMP13 (0.65) MMP13
SCHEMBL6377577 0.70 MMP2 (0.66) MMP13

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 1 patent. 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
Send feedback