SCHEMBL20575015

SCHEMBL20575015

CCP(=O)(O)C(C)C1CCCC1.[AlH3]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 7/20 0.41
▸ CA12 O43570 5/20 0.41
▸ CA1 P00915 5/20 0.41
▸ CA2 P00918 5/20 0.41
▸ CA9 Q16790 5/20 0.41
▸ SHBG P04278 1/20 0.35
▸ ANPEP P15144 2/20 0.33
▸ ERAP2 Q6P179 2/20 0.33
▸ MMP1 P03956 3/20 0.33
▸ MMP8 P22894 3/20 0.33
▸ EPHX1 P07099 2/20 0.33
▸ METAP1 P53582 1/20 0.31
▸ FDPS P14324 2/20 0.31
▸ MMP3 P08254 1/20 0.31

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
SCHEMBL18893748 0.98 MMP2 (0.42) MMP2CA12CA1CA2CA9
SCHEMBL18893730 0.96 MMP2 (0.44) MMP2CA12CA1CA2CA9
SCHEMBL20575089 0.80 CA12 (0.39) MMP2CA12CA1CA2CA9
SCHEMBL19974195 0.79 CA12 (0.38) MMP2CA12CA1CA2CA9
SCHEMBL18893744 0.78 CA12 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL14516800 0.76 MMP2 (0.47) MMP2CA12CA1CA2CA9
SCHEMBL5670791 0.74 MMP2 (0.50) MMP2CA12CA1CA2CA9
SCHEMBL20575012 0.72 SHBG (0.35) MMP2CA12CA1CA2CA9
SCHEMBL27769846 0.69 MMP2 (0.42) MMP2CA12CA1CA2CA9
SCHEMBL2491379 0.65 — —

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
US-20180346739-A1 POLYMERIC FLAME RETARDANT MIXTURES CLARIANT PLASTICS & COATINGS LTD (CH) 2018-12-06 — — US disclosed
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