SCHEMBL8987130

SCHEMBL8987130

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 13/20 0.58
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
FFAR1 O14842 1/20 0.47
PPARD Q03181 1/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
PDE4B Q07343 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9291603 1.00 LTB4R (0.58) LTB4RPPARGPPARAFFAR1PPARD
SCHEMBL8987100 0.86 ALDH2 (0.46) LTB4RPTPN1
SCHEMBL8987216 0.86 ALDH2 (0.46) LTB4RPTPN1
SCHEMBL5407468 0.86 LTB4R (0.62) LTB4RFABP3FABP4
SCHEMBL8987182 0.82 LTB4R (0.52) LTB4RPPARGPPARAFFAR1PPARD
SCHEMBL8987396 0.80 LTB4R (0.41) LTB4RPDE4BALDH1A1HPGD
SCHEMBL8987240 0.76 LTB4R (0.93) LTB4R
SCHEMBL5365533 0.76 GAA (0.51) FFAR1ALDH1A1HPGD
SCHEMBL4298103 0.76 PPARA (0.68) LTB4RPPARGPPARAFFAR1PPARD
SCHEMBL1801957 0.76 PPARA (0.68) LTB4RPPARGPPARAFFAR1PPARD

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