SCHEMBL3961569

SCHEMBL3961569

CC(C)c1cccc(C(C)C)c1-c1ccccc1N(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NSD2 O96028 1/20 0.50
EGFR P00533 1/20 0.50
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FAAH O00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 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
SCHEMBL3962477 0.90 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL3955367 0.84 ALDH1A1 (0.44) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL5227537 0.79 GABRA1 (0.46) MAPTALDH1A1L3MBTL1LMNAMAPK1
Hydrochloric Acid SCHEMBL2866667 0.77 GABRA1 (0.44) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL10304860 0.74 GABRA1 (0.43) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL3966595 0.74 ALDH1A1 (0.50) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL7028664 0.74 GABRA1 (0.43) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL2919461 0.73 MAPT (0.52) MAPTALDH1A1L3MBTL1LMNAMAPK1
SCHEMBL31723279 0.73 GABRA1 (0.46) MAPTL3MBTL1LMNAMAPK1GABRA1
SCHEMBL9188741 0.73 GABRA1 (0.46) MAPTL3MBTL1LMNAMAPK1GABRA1

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
WO-2009038006-A1 RANDOM COPOLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-26 WO disclosed
WO-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO disclosed