SCHEMBL3800938

SCHEMBL3800938

C=CCc1c2ccccc2c(CC=C)c2c(CC=C)c3ccccc3c(CC=C)c12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDE4B Q07343 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
IMPDH2 P12268 1/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
CASP3 P42574 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL29853701 0.90 KDM4E (0.38) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL2149073 0.90 KDM4E (0.38) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL2361528 0.87 KDM4E (0.37) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL23527397 0.79 CYP3A4 (0.46) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL11666112 0.79 PDE4B (0.37) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL20915774 0.79 KDM4E (0.40) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL5919653 0.76 GABRA1 (0.45) KDM4EMEN1KMT2AALDH1A1GAA
SCHEMBL28972920 0.76 GABRA1 (0.41) KDM4EMEN1KMT2APDE4BALDH1A1
SCHEMBL11663091 0.76 PADI4 (0.44) KDM4EMEN1KMT2APDE4BGAA
SCHEMBL7189859 0.76 SMN1; SMN2 (0.40) KDM4EMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed