SCHEMBL28140264

SCHEMBL28140264

CC1CC(C(C)C)Cc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.39
POLB P06746 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
SLC6A2 P23975 2/20 0.34
CYP1A2 P05177 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ACHE P22303 1/20 0.34
AHR P35869 1/20 0.34
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL28062980 0.86 HPRT1 (0.39) HPRT1POLBALDH1A1MAPTSLC6A2
SCHEMBL28200993 0.82 HPRT1 (0.44) HPRT1POLBALDH1A1MAPTSLC6A2
SCHEMBL8740444 0.82 HPRT1 (0.50) HPRT1POLBALDH1A1MAPTSLC6A2
SCHEMBL27763377 0.80 KDM1A (0.41) HPRT1POLBALDH1A1MAPTSLC6A2
SCHEMBL28141013 0.79 TAAR1 (0.34) HPRT1ALDH1A1TDP1KDM4EGAA
SCHEMBL28143760 0.76 HPRT1 (0.37) HPRT1POLBALDH1A1MAPTSLC6A2
Furan SCHEMBL27622458 0.74 HPRT1 (0.35) HPRT1POLBALDH1A1MAPTSLC6A2
Furan SCHEMBL28152376 0.74 KDM1A (0.36) HPRT1POLBALDH1A1MAPTSLC6A2
SCHEMBL28140237 0.73 HPRT1 (0.40) HPRT1ALDH1A1MAPTSLC6A2CYP1A2
SCHEMBL28057655 0.71 HPRT1 (0.44) HPRT1POLBALDH1A1MAPTSLC6A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104662050-B Process for producing olefin polymer and olefin polymer 三井化学株式会社 2017-03-22 CN disclosed