SCHEMBL3962477

SCHEMBL3962477

Cc1cccc(C(C)C)c1-c1ccccc1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.45
NSD2 O96028 1/20 0.45
EGFR P00533 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR7 P34969 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PDK2 Q15119 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
TSHR P16473 2/20 0.34
FAAH O00519 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3961569 0.90 MAPT (0.50) ALDH1A1LMNAL3MBTL1MAPTNSD2
SCHEMBL3966595 0.84 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1MAPTNSD2
SCHEMBL3955367 0.78 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1MAPTNSD2
SCHEMBL27912751 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHTR7CA1CA2
SCHEMBL14877377 0.75 LMNA (0.50) ALDH1A1LMNAMAPK1CA1CA2
SCHEMBL5227537 0.73 GABRA1 (0.46) ALDH1A1LMNAL3MBTL1MAPTNSD2
SCHEMBL5616365 0.73 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1MAPTNSD2
SCHEMBL10457926 0.73 DHFR (0.44) ALDH1A1LMNAL3MBTL1MAPK1PDK2
SCHEMBL10304860 0.72 GABRA1 (0.43) ALDH1A1LMNAL3MBTL1MAPTNSD2
Hydrochloric Acid SCHEMBL2866667 0.72 GABRA1 (0.44) ALDH1A1LMNAL3MBTL1MAPTNSD2

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