SCHEMBL6287660

SCHEMBL6287660

CCCCNCCOCCNC(=O)NCCCC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.57
ACHE P22303 8/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX2 P34913 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PAOX Q6QHF9 1/20 0.44

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
SCHEMBL6289675 0.98 EPHX1 (0.55) EPHX1ACHECYP1A2CYP3A4CYP2D6
SCHEMBL6289583 0.93 EPHX1 (0.48) EPHX1ACHECYP1A2CYP3A4CYP2D6
SCHEMBL6285497 0.91 EPHX1 (0.47) EPHX1ACHECYP1A2CYP3A4CYP2D6
SCHEMBL6289703 0.91 EPHX1 (0.55) EPHX1ACHEEPHX2MAPTHSD17B10
SCHEMBL6290147 0.91 EPHX1 (0.59) EPHX1ACHEEPHX2MAPTHSD17B10
SCHEMBL30099796 0.90 EPHX1 (0.63) EPHX1ACHEEPHX2MAPTHSD17B10
SCHEMBL6284981 0.89 EPHX1 (0.53) EPHX1ACHEEPHX2MAPTHSD17B10
SCHEMBL6287724 0.89 EPHX1 (0.44) EPHX1ACHECYP1A2CYP3A4CYP2D6
SCHEMBL6287594 0.88 KDM4E (0.44) EPHX1ACHECYP1A2CYP3A4CYP2D6
SCHEMBL26669250 0.87 EPHX1 (0.59) EPHX1ACHEEPHX2MAPTHSD17B10

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