SCHEMBL8495993

SCHEMBL8495993

O=[C]c1ccccc1-c1ccc(OCCC2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.50
HPGD P15428 8/20 0.43
TGFBR1 P36897 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
IDO1 P14902 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
C5AR1 P21730 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
SCHEMBL8496114 0.99 NFE2L2 (0.52) NFE2L2HPGDTGFBR1HCRTR1HCRTR2
SCHEMBL8495284 0.84 PARP15 (0.47) FFAR4
SCHEMBL8494092 0.82 HPGD (0.45) HPGDHCRTR1HCRTR2FFAR4ALDH1A1
SCHEMBL3079539 0.80 NFE2L2 (0.58) NFE2L2HPGDGRM2ALDH1A1
SCHEMBL3072287 0.79 NFE2L2 (0.60) NFE2L2HPGDTGFBR1GRM2
SCHEMBL8883764 0.77 IDO1 (0.48) NFE2L2HPGDIDO1C5AR1
SCHEMBL8496390 0.77 LTA4H (0.53) HPGDFFAR4ALDH1A1
SCHEMBL8491685 0.77 PPARA (0.40) HPGDIDO1FFAR4ALDH1A1
SCHEMBL8883838 0.76 IDO1 (0.49) NFE2L2HPGDIDO1C5AR1
SCHEMBL8492656 0.74 LTA4H (0.54) HPGDALDH1A1

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
US-5932543-A INHIBITING FUNGAL AND PARASITIC ACTIVITY ELI LILLY AND COMPANY (US) 1999-08-03 US disclosed