SCHEMBL28089760

SCHEMBL28089760

CC(C)c1ccc2oc3ccccc3c2c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
CASP7 P55210 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
PGAM1 P18669 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL17831017 0.80 MAOA (0.41) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL1102418 0.79 HPGD (0.43) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2342021 0.79 KDM4E (0.40) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13397180 0.78 MAOA (0.43) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL24501838 0.78 CA1 (0.41) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL24502181 0.78 CDC14B (0.38) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL24501824 0.77 TDP1 (0.40) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL23776264 0.76 L3MBTL1 (0.39) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL23776007 0.75 TNKS (0.42) MAOAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL17818177 0.75 TNKS (0.32) MAOAALDH1A1SMN1; SMN2KDM4EMAPT

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
CN-105764911-A Luminescent diaza-, monoaza-and benzo-imidazole metal carbene complexes for use in electronic devices such as OLEDs 巴斯夫欧洲公司 2016-07-13 CN claimed
CN-105764911-A Luminescent diaza-, monoaza-and benzo-imidazole metal carbene complexes for use in electronic devices such as OLEDs 巴斯夫欧洲公司 2016-07-13 CN disclosed