SCHEMBL28842004

SCHEMBL28842004

COc1ccc(Cc2cccc(C)c2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
ALDH1A1 P00352 3/20 0.47
ATM Q13315 2/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
IDH1 O75874 1/20 0.43
SCN8A Q9UQD0 1/20 0.43
IDO1 P14902 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
MAOB P27338 1/20 0.42
ALOX5 P09917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29080235 0.91 LTA4H (0.45) LTA4HALDH1A1ATMCYP2D6LMNA
SCHEMBL28131751 0.83 LTA4H (0.64) LTA4HALDH1A1ATMSMN1; SMN2TP53
SCHEMBL9341169 0.83 LTA4H (0.50) LTA4HALDH1A1ATMCYP2D6LMNA
SCHEMBL2579095 0.83 ALOX5 (0.54) LTA4HALDH1A1ATMCYP2D6LMNA
SCHEMBL381565 0.83 LTA4H (0.50) LTA4HALDH1A1ATMCYP2D6LMNA
SCHEMBL28872975 0.83 LTA4H (0.57) LTA4HALDH1A1ATMCYP2D6LMNA
SCHEMBL2576280 0.81 CALM1 (0.54) LTA4HALDH1A1ATMSMN1; SMN2TP53
SCHEMBL28251912 0.81 LTA4H (0.72) LTA4HSMN1; SMN2TP53MAPTIDO1
SCHEMBL28748801 0.79 LTA4H (0.59) LTA4HALDH1A1MAPTTDP1L3MBTL1
SCHEMBL146769 0.79 IDH1 (0.47) CYP2D6SMN1; SMN2NPSR1IDH1HTR2A

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-106604727-A Compositions and methods to improve adoptive cell therapies 7山利益有限责任公司 2017-04-26 CN disclosed