SCHEMBL3748729

SCHEMBL3748729

Cc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(C)c5ccccc45)c4ccccc34)c3ccccc23)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.54
CNR1 P21554 4/20 0.54
CYP1A2 P05177 3/20 0.52
CDC25B P30305 1/20 0.44
MCL1 Q07820 1/20 0.43
SLC22A12 Q96S37 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PABPC1 P11940 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7717844 0.94 CYP1A2 (0.59) CNR2CNR1CYP1A2CDC25BMAPT
SCHEMBL13045513 0.89 CNR2 (0.49) CNR2CNR1CYP1A2CDC25BMCL1
SCHEMBL13045526 0.88 CNR2 (0.45) CNR2CNR1CYP1A2CDC25BMCL1
SCHEMBL10556765 0.86 MCL1 (0.51) CYP1A2MCL1SLC22A12MAPTALDH1A1
SCHEMBL13045529 0.85 CNR2 (0.43) CNR2CNR1CYP1A2MCL1SLC22A12
SCHEMBL13625861 0.83 CDC25B (0.61) CNR2CNR1CYP1A2CDC25BMAPT
SCHEMBL14124749 0.83 CDC25B (0.64) CNR2CNR1CDC25BALDH1A1CYP3A4
SCHEMBL14124787 0.83 MYC (0.51) CNR2CNR1CYP1A2CDC25BMCL1
SCHEMBL12748835 0.82 CYP1A2 (0.50) CNR2CNR1CYP1A2MAPTALDH1A1
SCHEMBL27349326 0.80 WDR5 (0.51) CNR2CNR1CYP1A2CDC25BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838126-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-7838126-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-7838126-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-20070164273-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-19 US disclosed
US-20070164273-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-19 US disclosed
US-20070164273-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-19 US disclosed