SCHEMBL6284199

SCHEMBL6284199

CCCCNCCCCCCNC(=O)NC

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.67
PAOX Q6QHF9 1/20 0.52
S1PR2 O95136 5/20 0.48
S1PR4 O95977 5/20 0.48
S1PR1 P21453 5/20 0.48
S1PR3 Q99500 5/20 0.48
S1PR5 Q9H228 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CASP2 P42575 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6289669 0.98 EPHX1 (0.63) EPHX1PAOXS1PR2S1PR4S1PR1
SCHEMBL6290110 0.94 EPHX1 (0.57) EPHX1PAOXS1PR2S1PR4S1PR1
SCHEMBL6289576 0.90 EPHX1 (0.52) EPHX1PAOXS1PR2S1PR4S1PR1
SCHEMBL25228539 0.90 EPHX1 (0.78) EPHX1CASP2
SCHEMBL8395449 0.90 EPHX1 (0.78) EPHX1CASP2
SCHEMBL25277323 0.90 EPHX1 (0.78) EPHX1CASP2
SCHEMBL11323835 0.90 EPHX1 (0.78) EPHX1CASP2
SCHEMBL24285430 0.90 EPHX1 (0.78) EPHX1CASP2
SCHEMBL8397082 0.90 EPHX1 (0.78) EPHX1CASP2
SCHEMBL25228937 0.90 EPHX1 (0.78) EPHX1CASP2

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