SCHEMBL6283830

SCHEMBL6283830

CCCCC(CC)C(NCC)C(CC)CNC(=O)NCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.37
CA2 P00918 6/20 0.33
CA1 P00915 4/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.32
FAAH O00519 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL6287715 0.91 EPHX1 (0.45) EPHX1DPP7
SCHEMBL6286859 0.91 EPHX1 (0.39) EPHX1CA2CA1MAPK1CTSK
SCHEMBL6287183 0.90 EPHX1 (0.33) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6290130 0.88 EPHX1 (0.37) EPHX1CA2CA1MAPK1CTSK
SCHEMBL6285654 0.85 CA2 (0.39) CA2CA1MAPK1DPP7
SCHEMBL6287564 0.84 EPHX1 (0.39) EPHX1CA2CA1MAPK1CTSK
SCHEMBL6287256 0.84 EPHX1 (0.46) EPHX1DPP7
SCHEMBL6289689 0.79 EPHX1 (0.36) EPHX1CA2CA1MAPK1DPP7
SCHEMBL6290213 0.78 EPHX1 (0.46) EPHX1DPP7
SCHEMBL6287716 0.77 EPHX1 (0.35) EPHX1CA2CA1MAPK1CTSK

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
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed