SCHEMBL14192307

SCHEMBL14192307

C=CC(=O)CCCc1ccc(OC(F)(F)C2CCC(CCCCC)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.45
▸ THRA P10827 6/20 0.39
▸ ITGB3 P05106 4/20 0.38
▸ ITGA2B P08514 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARA Q07869 3/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PTGES O14684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PSEN1 P49768 1/20 0.34

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
SCHEMBL14192309 0.87 ITGB3 (0.39) ITGB3ITGA2BPTGESALOX5
SCHEMBL14192317 0.80 THRB (0.45) THRBTHRAITGB3ITGA2BMEN1
SCHEMBL19854961 0.79 THRB (0.48) THRBTHRAMEN1KMT2AFAAH
SCHEMBL19855810 0.78 THRB (0.47) THRBTHRAMEN1KMT2AFAAH
SCHEMBL19855815 0.76 LSS (0.37) THRB
SCHEMBL2567584 0.75 THRB (0.42) THRBHPGD
SCHEMBL2567585 0.75 THRB (0.42) THRBHPGD
SCHEMBL19854539 0.75 CNR2 (0.38) —
SCHEMBL2567988 0.74 THRB (0.41) THRBHPGD
SCHEMBL2567989 0.74 THRB (0.41) THRBHPGD

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-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 — — US disclosed
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