SCHEMBL732169

SCHEMBL732169

COC(=C1C2CC3CC(C2)CC1C3)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
C1S P09871 1/20 0.37
PARP1 P09874 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL8058782 0.84 FAAH (0.43) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL734321 0.84 FAAH (0.43) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL31236475 0.82 MEN1 (0.51) ALDH1A1NPC1RAB9APARP1MEN1
SCHEMBL7598259 0.82 MEN1 (0.51) ALDH1A1NPC1RAB9APARP1MEN1
SCHEMBL15435483 0.82 EPHX2 (0.34) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL8445464 0.81 EPHX2 (0.34) ALDH1A1MAPTHPGDMEN1KMT2A
Lithium Ion SCHEMBL9838485 0.81 EPHX2 (0.34) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL733052 0.80 ENPP2 (0.41) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL12712806 0.79 MAPT (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL15435484 0.79 MAPT (0.33) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137990-B2 Compositions for chemiluminescent detection of hydrogen peroxide LUMIGEN, INC. (US) 2012-03-20 US disclosed
US-8137990-B2 Compositions for chemiluminescent detection of hydrogen peroxide LUMIGEN, INC. (US) 2012-03-20 US disclosed
US-7704752-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2010-04-27 US disclosed
US-7704752-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2010-04-27 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20100055800-A1 Compositions for Chemiluminescent Detection of Hydrogen Peroxide LUMIGEN, INC. (US) 2010-03-04 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed