SCHEMBL28279595

SCHEMBL28279595

CCc1ccc(CC(C)(C)N(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HPGD P15428 2/20 0.37
ESR1 P03372 3/20 0.37
CYP2A6 P11509 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CA2 P00918 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 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
SCHEMBL6137883 0.79 TAAR1 (0.54) TP53TAAR1ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL6251790 0.77 PYCR1 (0.43) ESR1ALDH1A1SMN1; SMN2SLC6A2HTR2A
SCHEMBL28166397 0.77 AOC3 (0.47) TP53TAAR1ALDH1A1SMN1; SMN2CA2
SCHEMBL30901121 0.77 TAAR1 (0.53) TAAR1HPGDALDH1A1SLC6A2TSHR
SCHEMBL563995 0.76 ESR1 (0.44) TP53TAAR1ESR1CYP2A6LPL
SCHEMBL31745477 0.76 CYP2C9 (0.37) TP53TAAR1HPGDESR1CYP2A6
SCHEMBL15706822 0.75 ESR1 (0.61) TP53TAAR1ESR1CYP2A6LPL
Trimethylammonium SCHEMBL27719445 0.74 TP53 (0.56) TP53TAAR1HPGDCYP2A6LPL
SCHEMBL19243922 0.71 TP53 (0.42) TP53TAAR1ESR1CYP2A6LPL
SCHEMBL14350828 0.71 TP53 (0.42) TP53TAAR1HPGDESR1CYP2A6

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-109563342-A Resin combination, cured film, semiconductor devices and their manufacturing method 东丽株式会社 2019-04-02 CN disclosed