SCHEMBL4762276

SCHEMBL4762276

c1ccc2c(c1)-c1ccc3c4c(c5ccccc5c-2c14)-c1ccccc1-3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 7/20 0.43
MAPK1 P28482 5/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ATM Q13315 1/20 0.43
CASP1 P29466 3/20 0.43
HPGD P15428 3/20 0.43
HIF1A Q16665 3/20 0.43
PABPC1 P11940 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
DNMT1 P26358 2/20 0.40
ANPEP P15144 1/20 0.38
HKDC1 Q2TB90 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
SCHEMBL4939007 0.85 CRHBP (0.39) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL17828557 0.83 CRHBP (0.38) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL8767393 0.82 MEN1 (0.42) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL3418742 0.79 KEAP1 (0.58) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL13648911 0.78 ALDH1A1 (0.37) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL762145 0.77 HKDC1 (0.43) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL26462014 0.77 HKDC1 (0.43) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL5826281 0.76 HPRT1 (0.40) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL9099485 0.75 ALDH1A1 (0.48) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL3418746 0.75 ALDH1A1 (0.54) CRHBPCRHR2KEAP1NFE2L2ALDH1A1

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
JP-2008270396-A ORGANIC TRANSISTOR MITSUI CHEMICALS INC 2008-11-06 JP disclosed