SCHEMBL14218976

SCHEMBL14218976

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.42
THRA P10827 6/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 4/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14219065 0.97 THRB (0.40) THRBTHRAKMT2AMEN1MAPT
SCHEMBL13283121 0.95 THRB (0.46) THRBKMT2AMAPTGFERALDH1A1
SCHEMBL14218989 0.93 THRB (0.43) THRBTHRAKMT2AMEN1MAPT
SCHEMBL1945993 0.91 THRB (0.42) THRBKMT2AMEN1MAPTALDH1A1
SCHEMBL11891430 0.91 KMT2A (0.47) THRBKMT2AMEN1MAPTGFER
SCHEMBL18806545 0.86 THRB (0.48) THRBTHRAKMT2AMEN1MAPT
SCHEMBL2759475 0.85 SMN1; SMN2 (0.43) THRBKMT2AMEN1MAPTALDH1A1
SCHEMBL13283122 0.84 THRB (0.38) THRBKMT2AMAPTLMNA
SCHEMBL14219064 0.84 THRB (0.53) THRBTHRAKMT2AMEN1MAPT
SCHEMBL3344397 0.83 PRSS1 (0.52) THRBKMT2AMAPTPRSS1ACR

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