SCHEMBL14219065

SCHEMBL14219065

C=CC(=O)OC(CCC)Oc1ccc(-c2ccc(OC(=O)c3ccc(C(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.40
MAPT P10636 5/20 0.38
THRA P10827 5/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GFER P55789 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL14218976 0.97 THRB (0.42) THRBMAPTTHRAKMT2AMEN1
SCHEMBL13283121 0.92 THRB (0.46) THRBMAPTKMT2ASMN1; SMN2GFER
SCHEMBL14218989 0.90 THRB (0.43) THRBMAPTTHRAKMT2AMEN1
SCHEMBL11891430 0.88 KMT2A (0.47) THRBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1945993 0.88 THRB (0.42) THRBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL13296350 0.86 THRB (0.44) THRBMAPTKMT2AALDH1A1
SCHEMBL18806545 0.83 THRB (0.48) THRBMAPTTHRAKMT2AMEN1
SCHEMBL2759475 0.83 SMN1; SMN2 (0.43) THRBMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL12806674 0.83 THRB (0.39) THRBMAPTKMT2AMEN1ALDH1A1
SCHEMBL23581943 0.81 MAPT (0.47) THRBMAPTPDCD1CD274

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