SCHEMBL7479941

SCHEMBL7479941

CC(C)(C)c1csc(-c2cc3cc(Cn4cc(CC(=O)O)c5cc(OCc6cc(C(F)(F)F)cc(C(F)(F)F)c6)ccc54)ccc3o2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 9/20 0.43
PPARA Q07869 8/20 0.43
PPARG P37231 5/20 0.43
ICMT O60725 7/20 0.41
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PLA2G2A P14555 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL7474848 0.93 ICMT (0.40) PPARDPPARAPPARGICMTPLA2G2A
SCHEMBL5810419 0.91 PPARD (0.53) PPARDPPARAPPARGICMTLTB4R
SCHEMBL8624729 0.89 THRA (0.46) PPARDPPARAPPARGICMTLTB4R
SCHEMBL6598614 0.87 PPARD (0.48) PPARDPPARAPPARGICMTLTB4R
SCHEMBL6601187 0.87 PLA2G2A (0.49) PPARDPPARAPPARGICMTPLA2G2A
SCHEMBL5809194 0.86 THRA (0.41) PPARDPPARAPPARGICMTLTB4R
SCHEMBL6599833 0.86 PLA2G2A (0.47) PPARDPPARAPPARGICMTPLA2G2A
Acetic Acid SCHEMBL6610409 0.85 S1PR1 (0.42) PPARDPPARAPPARGICMTPLA2G2A
SCHEMBL6599124 0.85 PLA2G2A (0.42) PPARDPPARAPPARGICMTPLA2G2A
Hydrochloric Acid SCHEMBL8470607 0.84 PLA2G2A (0.42) PPARDPPARAPPARGICMTPLA2G2A

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-A2 Thiazolybenzofuran derivatives and their use as SRS-A and leukotiene antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-09 EP disclosed
US-5994378-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed