SCHEMBL6598614

SCHEMBL6598614

CC(C)(C)c1csc(-c2cc3cc(Cn4cc(CC(=O)O)c5cc(OCc6cccc(C(=O)O)c6)ccc54)ccc3o2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.48
PPARG P37231 3/20 0.48
PPARA Q07869 3/20 0.48
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
PLA2G2A P14555 4/20 0.39
MRGPRX4 Q96LA9 6/20 0.38
ICMT O60725 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP26B1 Q9NR63 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL5810419 0.93 PPARD (0.53) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL8624729 0.88 THRA (0.46) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL7479941 0.87 PPARD (0.43) PPARDPPARGPPARALTB4RLTB4R2
SCHEMBL6599833 0.87 PLA2G2A (0.47) PPARDPPARGPPARAMCL1PLA2G2A
SCHEMBL6601187 0.87 PLA2G2A (0.49) PPARDPPARGPPARAPLA2G2AICMT
SCHEMBL5809194 0.86 THRA (0.41) PPARDPPARGPPARALTB4RLTB4R2
Acetic Acid SCHEMBL6610409 0.85 S1PR1 (0.42) PPARDPPARGPPARAPLA2G2AICMT
SCHEMBL6599124 0.84 PLA2G2A (0.42) PPARDPPARGPPARAPLA2G2AICMT
SCHEMBL8316881 0.84 MRGPRX4 (0.52) BCL2MCL1MRGPRX4
Hydrochloric Acid SCHEMBL8470607 0.84 PLA2G2A (0.42) PPARDPPARGPPARAPLA2G2AICMT

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
EP-1170009-B1 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2004-04-07 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed