SCHEMBL8381329

SCHEMBL8381329

O=C(O)COc1ccc(OCCC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.59
▸ FFAR1 O14842 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ PTPN7 P35236 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTPN12 Q05209 1/20 0.53
▸ CYP1A2 P05177 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ FFAR4 Q5NUL3 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.45

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
SCHEMBL8383409 0.89 LMNA (0.56) ALOX15FFAR1SMN1; SMN2PTPN7ALDH1A1
SCHEMBL8379886 0.86 GAA (0.47) ALOX15SMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL8384111 0.86 PPARA (0.55) FFAR1PPARGFFAR4
SCHEMBL8385005 0.84 LTB4R (0.49) ALOX15FFAR1ALDH1A1PPARDPKM
SCHEMBL8385001 0.84 L3MBTL1 (0.56) ALOX15SMN1; SMN2ALDH1A1
SCHEMBL8385011 0.84 PKM (0.67) ALOX15ALDH1A1PKMPLA2G4B
SCHEMBL8385078 0.82 FFAR1 (0.68) FFAR1PPARGPPARDFFAR4
SCHEMBL8381057 0.81 LMNA (0.52) SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8385010 0.81 ELANE (0.50) SMN1; SMN2ALDH1A1MEN1MAPTKMT2A
SCHEMBL8385027 0.80 FFAR1 (0.63) FFAR1SMN1; SMN2CYP1A2PPARGFFAR4

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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