SCHEMBL1079747

SCHEMBL1079747

CC(C)CCOC(=O)c1ccccc1OCCC(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
ALDH1A1 P00352 6/20 0.51
TSHR P16473 5/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
IDO1 P14902 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
TBXAS1 P24557 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL11337840 0.88 HTT (0.56) HTTALDH1A1TSHRADRB2ADRB1
SCHEMBL17502652 0.88 ALDH1A1 (0.56) HTTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL385728 0.88 HTT (0.70) HTTALDH1A1TSHRADRB2ADRB1
SCHEMBL29754649 0.87 TSHR (0.67) HTTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL204946 0.87 TSHR (0.67) HTTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL6245291 0.87 HTT (0.58) HTTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL29829739 0.84 HTT (0.74) HTTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL568543 0.84 HTT (0.74) HTTALDH1A1TSHRKDM4EHSD17B10
SCHEMBL26724884 0.84 HTT (0.74) HTTALDH1A1KDM4EHSD17B10IDO1
SCHEMBL5172254 0.84 HTT (0.74) HTTALDH1A1TSHRKDM4EHSD17B10

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-2011001165-A2 FORMULATIONS SYNTOPIX GROUP PLC (GB) 2011-01-06 WO disclosed
WO-2004035926-A1 METHOD OF MANUFACTURING TISSUE PAPERS E-PAPERTEC CO., LTD. (KR) 2004-04-29 WO disclosed