SCHEMBL8987182

SCHEMBL8987182

COc1ccc(-c2cnc(OCCCCCC(=O)O)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.52
KMT2A Q03164 1/20 0.49
FFAR1 O14842 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
GAA P10253 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4B Q07343 1/20 0.42
TBXAS1 P24557 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL8987122 0.87 ALDH2 (0.46) LTB4RKMT2AGAAPTGS2TBXAS1
SCHEMBL8987144 0.87 LTB4R (0.57) LTB4R
SCHEMBL8986957 0.87 LTB4R (0.57) LTB4R
SCHEMBL9291667 0.87 LTB4R (0.57) LTB4R
SCHEMBL8987118 0.86 LTB4R (0.57) LTB4RTBXAS1
SCHEMBL8987130 0.82 LTB4R (0.58) LTB4RFFAR1PPARGPPARDPPARA
SCHEMBL9291603 0.82 LTB4R (0.58) LTB4RFFAR1PPARGPPARDPPARA
SCHEMBL8987233 0.80 LTB4R (0.54) LTB4RPPARGPPARAALDH1A1
SCHEMBL8987198 0.76 FAAH (0.51) LTB4RGAATBXAS1ALDH1A1
SCHEMBL1801957 0.75 PPARA (0.68) LTB4RFFAR1PPARGPPARDPPARA

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-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed