SCHEMBL6286898

SCHEMBL6286898

CCCCNCC(CC)(CNCCCC)CNC(=O)NCC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.43
TSHR P16473 1/20 0.38
FAAH O00519 1/20 0.34
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
PAOX Q6QHF9 1/20 0.33
ACHE P22303 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 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
SCHEMBL6289714 0.93 EPHX1 (0.46) EPHX1TSHRFAAHMMP2MMP1
SCHEMBL6287138 0.92 EPHX1 (0.53) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6284949 0.87 EPHX1 (0.52) EPHX1TSHRMMP2MMP1ACHE
SCHEMBL6286748 0.87 EPHX1 (0.39) EPHX1TSHRMMP2MMP1PAOX
SCHEMBL6289560 0.84 EPHX1 (0.57) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6290338 0.84 MCL1 (0.32) MMP2MMP1SMN1; SMN2EPHX2
SCHEMBL6284448 0.81 EPHX1 (0.44) EPHX1TSHRFAAHMMP2MMP1
SCHEMBL6287064 0.81 EPHX1 (0.36) EPHX1TSHRMMP2PAOXACHE
SCHEMBL6287185 0.81 EPHX1 (0.44) EPHX1TSHRFAAHMMP2MMP1
SCHEMBL6287542 0.79 EPHX1 (0.41) EPHX1TSHRMMP2MMP1PAOX

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