SCHEMBL15211763

SCHEMBL15211763

CCc1sc2cc(OCc3ccc(C(F)(F)F)cc3Cl)ccc2c1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 9/20 0.40
▸ PPARA Q07869 8/20 0.40
▸ MRGPRX4 Q96LA9 5/20 0.39
▸ PPARG P37231 3/20 0.39
▸ SRD5A2 P31213 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ GSTP1 P09211 1/20 0.35

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
SCHEMBL15211853 0.81 MBOAT4 (0.43) PPARDPPARAPPARGFFAR1ESR1
SCHEMBL15211206 0.78 PPARD (0.39) PPARDPPARAPPARGFFAR1ESR1
SCHEMBL15211431 0.77 TP53 (0.35) PPARDPPARAESR1
SCHEMBL15212692 0.75 ESR1 (0.35) PPARDPPARAPPARGFFAR1ESR1
SCHEMBL15211500 0.75 ESR1 (0.39) PPARDPPARAPPARGFFAR1ESR1
SCHEMBL15211694 0.75 IKBKB (0.36) PPARDPPARAPPARGS1PR1ESR1
SCHEMBL15211378 0.74 CA2 (0.40) ESR1
SCHEMBL15211268 0.73 NR4A2 (0.46) PPARGFFAR1S1PR1S1PR5
SCHEMBL15211766 0.73 PPARD (0.59) PPARDPPARAMRGPRX4PPARGFFAR1
SCHEMBL17431385 0.72 PPARD (0.74) PPARDPPARAPPARGRXRANR1H2

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-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 — — EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 — — WO disclosed
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