SCHEMBL8385078

SCHEMBL8385078

O=C(O)CCc1ccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 16/20 0.68
▸ FFAR4 Q5NUL3 6/20 0.60
▸ LMNA P02545 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ ITGB3 P05106 1/20 0.56
▸ ITGA2B P08514 1/20 0.56
▸ AKR1B1 P15121 1/20 0.51
▸ S1PR1 P21453 1/20 0.51
▸ S1PR3 Q99500 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ PPARD Q03181 1/20 0.51
▸ PPARA Q07869 1/20 0.51

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
SCHEMBL8385027 0.92 FFAR1 (0.63) FFAR1FFAR4LMNAL3MBTL1ITGB3
SCHEMBL8384111 0.87 PPARA (0.55) FFAR1FFAR4PPARGPPARA
SCHEMBL8385005 0.85 LTB4R (0.49) FFAR1LMNAAKR1B1PPARD
SCHEMBL8385013 0.85 FFAR1 (0.58) FFAR1FFAR4AKR1B1PPARD
SCHEMBL8383194 0.82 TAAR1 (0.52) FFAR1LMNA
SCHEMBL8381329 0.82 ALOX15 (0.59) FFAR1FFAR4PPARGPPARD
SCHEMBL1745370 0.82 FFAR1 (1.00) FFAR1FFAR4LMNAL3MBTL1AKR1B1
SCHEMBL4530820 0.82 FFAR1 (0.88) FFAR1FFAR4LMNAL3MBTL1S1PR1
SCHEMBL24724221 0.81 L3MBTL1 (0.69) FFAR1FFAR4LMNAL3MBTL1ITGB3
SCHEMBL8381114 0.81 LTA4H (0.50) —

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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