SCHEMBL6287780

SCHEMBL6287780

CCCCNC(=O)NCC(C)(CNC)CNC

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.55
KDM4C Q9H3R0 1/20 0.41
MMP2 P08253 2/20 0.40
MMP1 P03956 1/20 0.40
ACHE P22303 1/20 0.39
EPHX2 P34913 3/20 0.39

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
SCHEMBL6284150 0.86 EPHX1 (0.55) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6289592 0.86 EPHX1 (0.55) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6287085 0.84 EPHX1 (0.53) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6289551 0.84 EPHX1 (0.57) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6290189 0.84 EPHX1 (0.57) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL6284237 0.81 ALDH1A1 (0.36) EPHX1MMP2MMP1EPHX2
SCHEMBL6285625 0.81 EPHX1 (0.53) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL320112 0.78 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL6290264 0.77 EPHX1 (0.40) EPHX1KDM4CMMP2MMP1ACHE
SCHEMBL6287185 0.77 EPHX1 (0.44) EPHX1KDM4CMMP2MMP1ACHE

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