SCHEMBL6284969

SCHEMBL6284969

CCCCNCCNC(=O)NCCCC

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.68
PAOX Q6QHF9 1/20 0.52
MMP2 P08253 2/20 0.47
MMP1 P03956 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 3/20 0.45

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
SCHEMBL6290112 0.93 EPHX1 (0.71) EPHX1PAOXMMP2MMP1ACHE
SCHEMBL6287471 0.93 EPHX1 (0.78) EPHX1PAOXMMP2MMP1ALDH1A1
SCHEMBL6290137 0.91 EPHX1 (0.57) EPHX1PAOXMMP2MMP1ACHE
SCHEMBL6290403 0.91 EPHX1 (0.83) EPHX1PAOXALDH1A1TSHREPHX2
SCHEMBL6289611 0.89 EPHX1 (0.65) EPHX1MMP2MMP1ACHETSHR
SCHEMBL320112 0.88 EPHX1 (0.85) EPHX1MMP2MMP1ACHE
SCHEMBL6290512 0.87 EPHX1 (0.63) EPHX1PAOXMMP2MMP1ACHE
SCHEMBL6290324 0.87 EPHX1 (0.69) EPHX1PAOXALDH1A1TSHREPHX2
SCHEMBL6289576 0.87 EPHX1 (0.52) EPHX1PAOXMMP2MMP1ACHE
SCHEMBL30786047 0.85 EPHX1 (0.90) EPHX1MMP2MMP1ACHEEPHX2

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