SCHEMBL2834843

SCHEMBL2834843

CCCCc1c(OCc2ccccc2)cc[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.43
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
PPARG P37231 1/20 0.43
RIN1 Q13671 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MAPK14 Q16539 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HTR1A P08908 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL5256531 0.81 L3MBTL1 (0.49) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL4484727 0.80 L3MBTL1 (0.59) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL6471436 0.78 L3MBTL1 (0.46) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL6471478 0.76 HTT (0.45) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL4380048 0.74 MAPK14 (0.51) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL6471390 0.73 ALDH1A1 (0.51) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL5033245 0.73 POLB (0.45) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL27458026 0.73 MAPT (0.50) MAPTLMNASMN1; SMN2HTTKDM4E
SCHEMBL6472545 0.72 MAOB (0.50) POLBL3MBTL1NSD2ABL1PPARG
SCHEMBL945488 0.71 L3MBTL1 (0.50) POLBL3MBTL1NSD2ABL1PPARG

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-2010043396-A1 INDOLE AND BENZOMORPHOLINE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed