SCHEMBL7170459

SCHEMBL7170459

O=C1C(=Cc2cccc3ccccc23)CCC1=Cc1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
HTT P42858 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ACHE P22303 1/20 0.58
HSD11B1 P28845 3/20 0.58
APP P05067 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TTR P02766 1/20 0.51
AKR1B1 P15121 1/20 0.51
CYP1A2 P05177 2/20 0.50
PIM1 P11309 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TNF P01375 1/20 0.46
IL6 P05231 1/20 0.46

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
SCHEMBL7170445 1.00 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL12948731 0.93 ALDH1A1 (0.76) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL12948685 0.86 MAPT (0.84) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7273033 0.82 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL31190489 0.82 ACHE (0.63) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL809614 0.81 ALDH1A1 (0.65) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL28394403 0.81 ALDH1A1 (0.61) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7328466 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL9740855 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7328464 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HTT

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed