SCHEMBL509830

SCHEMBL509830

CCCCN(C#CCI)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL168928 0.84 CA12 (0.34) CA12CA1CA9MMP1MMP2
SCHEMBL28089599 0.81 CA12 (0.31) CA12CA1CA9
SCHEMBL7742052 0.79 CA1 (0.36) CA12CA1CA9MMP1MMP2
SCHEMBL28983307 0.79 EPHX1 (0.33) CA12CA1CA9MMP1MMP2
SCHEMBL27345447 0.77
SCHEMBL27998244 0.76
SCHEMBL28104178 0.74
SCHEMBL28041462 0.74
SCHEMBL29876681 0.73 EPHX2 (0.34)
SCHEMBL29353408 0.73 EPHX2 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243888-A1 Composition and Method for the Topical Treatment of Dermatitis FORD SARA BETH (US) 2013-09-19 US disclosed
WO-2012015789-A2 COMPOSITION AND METHOD FOR THE TOPICALTREATMENT OF DERMATITIS FORD SARA BETH (US) 2012-02-02 WO disclosed
US-20120027876-A1 Composition and Method for the Topical Treatment of Dermatitis FORD SARA BETH (US) 2012-02-02 US disclosed