SCHEMBL8080557

SCHEMBL8080557

CC[n+]1c(C=C(C)O)sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 9/20 0.58
RAB9A P51151 7/20 0.58
POLB P06746 4/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 6/20 0.57
HTT P42858 6/20 0.57
MEN1 O00255 5/20 0.57
THRB P10828 3/20 0.57
MMP14 P50281 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX12 P18054 1/20 0.54
CYP2C19 P33261 1/20 0.54
CTNNB1 P35222 1/20 0.54
NSD2 O96028 2/20 0.54

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
SCHEMBL8080554 1.00 MAPT (0.69) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL13046317 1.00 MAPT (0.69) MAPTKDM4EALDH1A1RAB9APOLB
Hydrochloric Acid SCHEMBL141879 0.98 MAPT (0.67) MAPTKDM4EALDH1A1RAB9APOLB
Hydrochloric Acid SCHEMBL1713242 0.98 MAPT (0.67) MAPTKDM4EALDH1A1RAB9APOLB
Hydrochloric Acid SCHEMBL29757621 0.98 MAPT (0.67) MAPTKDM4EALDH1A1RAB9APOLB
Hydrochloric Acid SCHEMBL10952294 0.85 MAPT (0.62) MAPTKDM4EALDH1A1RAB9APOLB
Hydrochloric Acid SCHEMBL10952290 0.85 MAPT (0.62) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL11460154 0.84 MAPT (0.81) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL11460155 0.84 MAPT (0.81) MAPTKDM4EALDH1A1RAB9APOLB
SCHEMBL13646767 0.83 MAPT (0.97) MAPTKDM4EALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0615854-B1 Recording sheets containing cationic sulphur compounds XEROX CORP (US) 1997-06-04 EP claimed
EP-3478792-B1 CHEMILUMINESCENT SUBSTRATES BECKMAN COULTER INC (US) 2023-12-13 EP disclosed