SCHEMBL1758500

SCHEMBL1758500

Cn1ncc(OCc2ccccc2)c1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
PKM P14618 1/20 0.43
BRD4 O60885 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAP4K4 O95819 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LIPE Q05469 1/20 0.41
FOLH1 Q04609 1/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
P4HTM Q9NXG6 1/20 0.40
LRRK2 Q5S007 1/20 0.40
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
LTA4H P09960 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1758499 0.80 PKM (0.48) MAPK14PKMBRD4HTR2AHTR2C
SCHEMBL5883689 0.77 ALKBH1 (0.51) PKMALDH1A1FOLH1P4HTMSRD5A2
SCHEMBL21232987 0.76 L3MBTL1 (0.51) MAPK14PKMBRD4LIPEMAPT
SCHEMBL22445443 0.74 LIPE (0.54) MAPK14PKMBRD4HTR2AHTR2C
SCHEMBL17012297 0.73 PRMT5 (0.42) PKMALDH1A1L3MBTL1P4HTMLRRK2
SCHEMBL22952627 0.72 MAPK14 (0.44) MAPK14PKMBRD4LIPEMAPT
SCHEMBL9192843 0.72 MAPK14 (0.44) MAPK14BRD4LIPEMAPTTDP1
SCHEMBL29050433 0.72 ALOX5AP (0.45) MAPK14PKMHTR2AHTR2CMAP4K4
SCHEMBL30231657 0.72 ALOX5AP (0.45) MAPK14PKMHTR2AHTR2CMAP4K4
SCHEMBL4701633 0.72 HPGD (0.50) ALDH1A1L3MBTL1SMN1; SMN2

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
WO-2011051212-A1 USE OF HETEROAROMATIC COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-05 WO disclosed