SCHEMBL20021062

SCHEMBL20021062

CCC(C)CCOc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 5/20 0.56
HTT P42858 3/20 0.43
TDP1 Q9NUW8 4/20 0.42
ADRA2B P18089 1/20 0.42
PTGS1 P23219 1/20 0.42
TLR8 Q9NR97 2/20 0.40
MCHR1 Q99705 2/20 0.40
APP P05067 1/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL172117 0.84 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL21104226 0.81 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL29690366 0.81 TDP1 (0.53) CYP1A2CYP2C19ALDH1A1HTTTDP1
SCHEMBL18570412 0.81 TDP1 (0.53) CYP1A2CYP2C19ALDH1A1HTTTDP1
SCHEMBL21104793 0.81 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL11844469 0.79 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL21751760 0.78 ALDH1A1 (0.59) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL110932 0.77 CYP1A2 (0.81) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL6283894 0.77 HTT (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1HTT
SCHEMBL29708563 0.77 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19ALDH1A1HTT

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
EP-2649080-B1 INDOLOPHENOXAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KK (JP) 2018-04-04 EP disclosed