SCHEMBL6284139

SCHEMBL6284139

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
EPHX1 P07099 3/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL6280191 0.86 LMNA (0.47) LMNAEPHX1HDAC7HDAC8HDAC6
SCHEMBL6283999 0.85 EPHX1 (0.50) LMNAEPHX1
SCHEMBL3229217 0.81 LMNA (0.50) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL3229211 0.81 LMNA (0.50) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL6290124 0.80 LMNA (0.48) LMNACHRM1AKR1A1CHRM3HTR2A
SCHEMBL6284244 0.79 EPHX2 (0.33) EPHX1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6286726 0.79 EPHX1 (0.33) EPHX1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6287564 0.78 EPHX1 (0.39) EPHX1
SCHEMBL442584 0.76 LMNA (0.44) LMNA
SCHEMBL444764 0.76 LMNA (0.44) LMNATDP1

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