SCHEMBL11728783

SCHEMBL11728783

CCCCCCCCCCCCCCCCCC(O)c1ccc(Oc2ccc(C(=O)C(C)(C)C)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PPARG P37231 4/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ PLA2G4B P0C869 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ESRRA P11474 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ CETP P11597 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
SCHEMBL11726508 0.88 PPARA (0.37) THRATHRBPPARGPPARAPLA2G4B
SCHEMBL11726045 0.83 PTGER4 (0.42) PLA2G4BTP53TSHRMLYCD
SCHEMBL11732095 0.83 PTGER4 (0.42) PLA2G4BTP53TSHRMLYCD
SCHEMBL11728550 0.83 PTGER4 (0.42) PLA2G4BTP53TSHRMLYCD
SCHEMBL11737885 0.83 PTGER4 (0.42) PLA2G4BTP53TSHRMLYCD
SCHEMBL11726784 0.83 PTGER4 (0.42) PLA2G4BTP53TSHRMLYCD
SCHEMBL11734570 0.78 PPARG (0.35) THRATHRBPPARGPPARAPLA2G4B
SCHEMBL11732180 0.78 MGLL (0.39) THRATHRBPLA2G4BTP53TSHR
SCHEMBL11734581 0.78 ESRRA (0.42) THRATHRBPPARGPPARAESRRA
SCHEMBL11735641 0.75 FFAR1 (0.42) THRATHRBESRRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008327-A ANTIDIABETIC SANDOZ, INC. (US) 1977-02-15 — — US disclosed
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