SCHEMBL9669792

SCHEMBL9669792

C=CCc1ccc2ccccc2c1NCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SLC2A1 P11166 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
ALOX15 P16050 1/20 0.37
S1PR2 O95136 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ELANE P08246 2/20 0.37
KCNH3 Q9ULD8 1/20 0.37
ESR1 P03372 1/20 0.37
CACNA2D1 P54289 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9669113 0.78 CNR1 (0.49) CNR1CNR2SLC2A1SMN1; SMN2ALOX15
SCHEMBL19024393 0.76 SIGMAR1 (0.46) SLC2A1ELANEKCNH3
SCHEMBL19024400 0.76 SIGMAR1 (0.46) SLC2A1ELANEKCNH3
SCHEMBL6426934 0.76 NCEH1 (0.41) CNR1SMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL28038825 0.76 SLC2A1 (0.47) CNR1CNR2SLC2A1SMN1; SMN2ALOX15
SCHEMBL9697546 0.76 CNR1 (0.48) CNR1CNR2SLC2A1SMN1; SMN2S1PR2
SCHEMBL10343357 0.76 CNR1 (0.45) CNR1CNR2SLC2A1SMN1; SMN2ALOX15
SCHEMBL28039189 0.76 SLC2A1 (0.47) CNR1CNR2SLC2A1SMN1; SMN2ALOX15
SCHEMBL28039128 0.76 SLC2A1 (0.47) CNR1CNR2SLC2A1SMN1; SMN2ALOX15
SCHEMBL11565010 0.74 ADRA2B (0.45) CNR1CNR2SMN1; SMN2S1PR2LMNA

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-5120456-A Wear, oxidation and corrosion resistance MOBIL OIL CORP. (US) 1992-06-09 US claimed