SCHEMBL6284949

SCHEMBL6284949

CCCCNC(=O)NCC(CC)(CNCC)CNCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
MMP2 P08253 2/20 0.38
TSHR P16473 1/20 0.38
MMP1 P03956 1/20 0.38
EPHX2 P34913 3/20 0.37
ACHE P22303 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6289685 0.93 EPHX1 (0.55) EPHX1MMP2TSHRMMP1EPHX2
SCHEMBL6287138 0.92 EPHX1 (0.53) EPHX1MMP2MMP1EPHX2ACHE
SCHEMBL6286898 0.87 EPHX1 (0.43) EPHX1MMP2TSHRMMP1EPHX2
SCHEMBL6285625 0.85 EPHX1 (0.53) EPHX1MMP2MMP1EPHX2ACHE
SCHEMBL6289560 0.84 EPHX1 (0.57) EPHX1MMP2MMP1EPHX2ACHE
SCHEMBL6290338 0.84 MCL1 (0.32) MMP2MMP1EPHX2
SCHEMBL6283759 0.83 EPHX1 (0.55) EPHX1MMP2MMP1EPHX2ACHE
SCHEMBL6287085 0.81 EPHX1 (0.53) EPHX1MMP2TSHRMMP1EPHX2
SCHEMBL6286863 0.81 EPHX1 (0.53) EPHX1MMP2TSHRMMP1EPHX2
SCHEMBL6286748 0.80 EPHX1 (0.39) EPHX1MMP2TSHRMMP1ACHE

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