SCHEMBL27557139

SCHEMBL27557139

CC(C)CC(C)c1ccc(Nc2ccc(N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX12 P18054 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
HTT P42858 1/20 0.45
NR4A1 P22736 1/20 0.44
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.43
RAD52 P43351 1/20 0.42
GRIA4 P48058 1/20 0.41
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL78135 0.90 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL4129122 0.88 GRIA4 (0.43) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL14804257 0.83 ALDH1A1 (0.62) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL18792761 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL11289104 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL28318549 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL8077563 0.75 MAPT (0.50) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL20670371 0.74 GRIA4 (0.42) ALDH1A1CYP3A4ALOX12MAPTHTT
SCHEMBL9950264 0.73 ALDH1A1 (0.84) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT
SCHEMBL23758363 0.72 TAAR1 (0.42) ALDH1A1L3MBTL1CYP3A4ALOX12MAPT

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-100337810-C Method for producing aerated tyre SUMITOMO RUBBER IND (JP) 2007-09-19 CN disclosed
CN-1350919-A Method for producing aerated tyre SUMITOMO RUBBER IND (JP) 2002-05-29 CN disclosed