SCHEMBL6289560

SCHEMBL6289560

CCCCNCC(CNCCCC)(CNCCCC)CNC(=O)NCCCC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.57
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
PAOX Q6QHF9 1/20 0.40
ACHE P22303 1/20 0.40
EPHX2 P34913 3/20 0.40
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6287138 0.93 EPHX1 (0.53) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6289714 0.91 EPHX1 (0.46) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6289685 0.91 EPHX1 (0.55) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL6287542 0.87 EPHX1 (0.41) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6290189 0.85 EPHX1 (0.57) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL6284949 0.84 EPHX1 (0.52) EPHX1MMP2MMP1ACHEEPHX2
SCHEMBL6286898 0.84 EPHX1 (0.43) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6280219 0.84 EPHX1 (0.55) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6284150 0.84 EPHX1 (0.55) EPHX1MMP2MMP1PAOXACHE
SCHEMBL6287612 0.83 EPHX1 (0.59) EPHX1MMP2MMP1ACHEHTT

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