SCHEMBL10909306

SCHEMBL10909306

O=C(CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.71
LMNA P02545 3/20 0.65
ALDH1A1 P00352 3/20 0.65
HTT P42858 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 2/20 0.57
BCHE P06276 1/20 0.56
CNR2 P34972 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PLAAT3 P53816 1/20 0.51

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
SCHEMBL15571714 0.89 HPGD (0.72) TACR1LMNAALDH1A1HTTHPGD
SCHEMBL9392719 0.81 PLA2G1B (0.76) TACR1LMNAALDH1A1HTTHPGD
SCHEMBL7812090 0.80 LMNA (0.60) TACR1LMNAALDH1A1HTTMAPT
SCHEMBL5860896 0.79 ALDH1A1 (0.73) LMNAALDH1A1HPGDMAPTCNR2
SCHEMBL7285179 0.79 ALDH1A1 (0.73) LMNAALDH1A1HPGDMAPTCNR2
SCHEMBL10766345 0.78 UTS2R (0.54) LMNAALDH1A1SMN1; SMN2CNR2CYP2D6
SCHEMBL10952833 0.78 HTT (0.58) TACR1LMNAALDH1A1HTTHPGD
Fumaric Acid SCHEMBL4372762 0.76 ALDH1A1 (0.53) TACR1LMNAALDH1A1L3MBTL1CYP1A2
SCHEMBL17229250 0.76 PLAAT3 (0.73) LMNAALDH1A1HPGDL3MBTL1CYP1A2
SCHEMBL13965859 0.76 HPGD (0.71) LMNAALDH1A1HPGDSMN1; SMN2CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4603145-A Antiatherosclerotic diphenyl alkanamides AMERICAN CYANAMID COMPANY (US) 1986-07-29 US disclosed