SCHEMBL17833734

SCHEMBL17833734

CC(C)n1c2ccccc2c2c3oc4c(ccc5c4c4ccccc4n5C(C)C)c3ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
NPY5R Q15761 9/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17833733 0.91 MEN1 (0.44) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25702407 0.82 MEN1 (0.41) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25678151 0.79 MEN1 (0.38) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL19845156 0.78 NPY5R (0.44) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL17834267 0.77 GPR3 (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL25765669 0.77 POLB (0.39) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25765690 0.76 MEN1 (0.37) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL21950747 0.76 MEN1 (0.38) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25765698 0.76 MEN1 (0.40) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL25765697 0.76 MEN1 (0.40) POLBMEN1KMT2ACYP1A2CYP3A4

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-20160211462-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMIRSU KOSAN CO., LTD. (JP) 2016-07-21 US disclosed
US-20160172602-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed