SCHEMBL9317813

SCHEMBL9317813

CCCCC(I)C(F)C(F)COc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.42
▸ LMNA P02545 3/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ MAOA P21397 2/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MLNR O43193 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL9706390 0.94 LTA4H (0.42) LTA4HLMNAALOX5PPARGPPARA
SCHEMBL9706425 0.84 LMNA (0.44) LTA4HLMNAMAOAPTGS1ADRB2
SCHEMBL9706391 0.82 LTA4H (0.42) LTA4HLMNAALOX5PPARGPPARA
SCHEMBL9345806 0.78 LTA4H (0.49) LTA4HLMNAALOX5PPARGPPARA
SCHEMBL9706354 0.78 LTA4H (0.43) LTA4HLMNAALOX5PPARGPPARA
SCHEMBL9346740 0.77 LTA4H (0.47) LTA4HLMNAMAOAPTGS1TSHR
SCHEMBL9706360 0.77 LTA4H (0.47) LTA4HLMNAMAOAPTGS1TSHR
SCHEMBL9497769 0.76 LMNA (0.48) LTA4HLMNAMAOAPTGS1ADRB2
SCHEMBL6683927 0.73 LMNA (0.53) LTA4HLMNAALOX5PPARGPPARA
SCHEMBL15029217 0.73 LMNA (0.53) LTA4HLMNAALOX5PPARGPPARA

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
JP-6087779-A — — None — — JP disclosed
JP-H0687779-A PRODUCTION OF IODINATED BENZENE DERIVATIVE SANYO CHEM IND LTD 1994-03-29 — — JP disclosed
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