SCHEMBL11084175

SCHEMBL11084175

CC1(C)CC(=O)N(CCOC(OCCN2C(=O)CC(C)(C)CC2=O)(C(=O)c2ccccc2)c2ccccc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
HTR1A P08908 4/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 0.41
HTR2B P41595 2/20 0.41
DRD3 P35462 2/20 0.37
HTR2A P28223 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MLNR O43193 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1C Q13936 1/20 0.34
ADRA1D P25100 1/20 0.33

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
SCHEMBL11089360 0.86 CES1 (0.48) CES1HTR2CHRH1HTR2BDRD3
SCHEMBL11083563 0.84 CES1 (0.46) CES1HTR7HTR2CHRH1HTR2B
SCHEMBL11091279 0.79 SMN1; SMN2 (0.58) CES1SMN1; SMN2
SCHEMBL11084921 0.76 ALDH1A1 (0.44) CES1HTR2CHRH1HTR2BDRD3
SCHEMBL11293625 0.75 ALDH1A1 (0.57) CES1HTR2CHRH1HTR2BDRD3
SCHEMBL11168382 0.75 HPGD (0.51) CES1SMN1; SMN2
SCHEMBL9860776 0.74 CES1 (0.64) CES1HTR1AHTR2CHRH1HTR2B
SCHEMBL11293408 0.74 ALDH1A1 (0.51) CES1HTR1ADRD2DRD3HTR2A
SCHEMBL3266492 0.72 CES1 (0.65) CES1SMN1; SMN2
SCHEMBL11292012 0.72 ALDH1A1 (0.53) CES1SMN1; SMN2OPRM1

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-4480094-A PHOTOINITIATOR TEIJIN LIMITED (JP) 1984-10-30 US disclosed
US-4400519-A PHOTOPOLYMERIZATION INITIATORS TEIJIN LIMITED (JP) 1983-08-23 US disclosed