SCHEMBL8385013

SCHEMBL8385013

O=C(O)CCc1cccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 14/20 0.58
▸ PPARD Q03181 1/20 0.51
▸ FFAR4 Q5NUL3 6/20 0.50
▸ KEAP1 Q14145 1/20 0.46
▸ GNA15 P30679 1/20 0.45
▸ PTGER3 P43115 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ AKR1B1 P15121 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL8383450 0.86 PLA2G4B (0.51) FFAR1PPARD
SCHEMBL8385078 0.85 FFAR1 (0.68) FFAR1PPARDFFAR4AKR1B1
SCHEMBL8381123 0.85 CYSLTR2 (0.52) FFAR1FFAR4
SCHEMBL17413767 0.83 FFAR1 (0.71) FFAR1PPARDFFAR4KEAP1AKR1B1
SCHEMBL8385021 0.82 TAAR1 (0.50) KCNH2
SCHEMBL17413763 0.82 FFAR1 (0.69) FFAR1PPARDFFAR4AKR1B1
SCHEMBL25175611 0.81 FFAR1 (0.76) FFAR1FFAR4KEAP1
SCHEMBL8383409 0.81 LMNA (0.56) FFAR1PPARD
SCHEMBL1206748 0.79 LMNA (0.68) FFAR1PPARDFFAR4
SCHEMBL2772855 0.79 FFAR1 (0.83) FFAR1FFAR4AKR1B1

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
US-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 — — US disclosed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 — — US disclosed
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