SCHEMBL27413845

SCHEMBL27413845

c1ccc(COCCc2c(Cc3ccccc3)cccc2Oc2cccc(Cc3ccccc3)c2CCOCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 5/20 0.42
HTR1A P08908 2/20 0.42
TSHR P16473 2/20 0.42
HRH1 P35367 5/20 0.41
DRD1 P21728 5/20 0.41
DRD4 P21917 4/20 0.41
DRD5 P21918 4/20 0.41
LTA4H P09960 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FOLH1 Q04609 1/20 0.40
DRD3 P35462 4/20 0.39
LMNA P02545 1/20 0.39
HTR2A P28223 1/20 0.39
ADRA1D P25100 1/20 0.38

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
SCHEMBL7033288 0.79 HPGD (0.49) HPGDSMN1; SMN2DRD2HTR1ATSHR
SCHEMBL7756044 0.77 HTR1A (0.41) DRD2HTR1ATSHRL3MBTL1FOLH1
Ethylene SCHEMBL28237007 0.76 HPGD (0.46) HPGDSMN1; SMN2DRD2HTR1ATSHR
SCHEMBL27413842 0.74 LTA4H (0.46) TSHRLTA4HL3MBTL1
SCHEMBL7591220 0.73 HTR1A (0.71) HPGDDRD2HTR1ATSHRTP53
SCHEMBL246372 0.73 HPGD (0.58) HPGDSMN1; SMN2DRD2TSHRHRH1
SCHEMBL27332065 0.73 IDO1 (0.45) HPGDSMN1; SMN2CYP3A4ALDH1A1
Oxirane SCHEMBL28878523 0.72 DRD1 (0.48) HPGDSMN1; SMN2DRD2TSHRHRH1
SCHEMBL5653059 0.72 ABCB1 (0.59) SMN1; SMN2DRD2HTR1AL3MBTL1LMNA
SCHEMBL4003505 0.72 KEAP1 (0.59) HPGDTSHRLTA4HCYP3A4L3MBTL1

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
CN-1100032-C 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives KISSEI PHARMACEUTICAL (JP) 2003-01-29 CN disclosed
CN-1216526-A 3,4-disubstituted phenylethanolaminotetra lincarboxamide derivatives KISSEI PHARMACEUTICAL (JP) 1999-05-12 CN disclosed