SCHEMBL6284244

SCHEMBL6284244

CCCC(NCC)C(CC)CNC(=O)NCC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.33
EPHX1 P07099 1/20 0.33
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6290105 0.89 EPHX2 (0.30) EPHX2
SCHEMBL6283796 0.88 EPHX1 (0.40) EPHX2EPHX1
SCHEMBL6283208 0.88 EPHX1 (0.46) EPHX2EPHX1ALDH1A1
SCHEMBL6286726 0.87 EPHX1 (0.33) EPHX2EPHX1CHRM1AKR1A1CHRM3
SCHEMBL6284462 0.83 CA1 (0.31)
SCHEMBL6287271 0.80 EPHX1 (0.47) EPHX2EPHX1TDP1ALDH1A1
SCHEMBL6284139 0.79 LMNA (0.47) EPHX1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6283830 0.76 EPHX1 (0.37) EPHX1
SCHEMBL6283526 0.75 EPHX1 (0.36) EPHX2EPHX1
SCHEMBL6284513 0.75 HSD17B10 (0.31) EPHX1

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