SCHEMBL4577952

SCHEMBL4577952

C=CC(=O)c1ccc(OC(=O)c2ccc(CCC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 12/20 0.74
THRA P10827 6/20 0.61
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
PRSS1 P07477 2/20 0.44
ACR P10323 1/20 0.44
F2 P00734 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL14192518 0.96 THRB (0.68) THRBTHRAKMT2AMEN1MAPT
SCHEMBL14192452 0.96 THRB (0.68) THRBTHRAKMT2AMEN1MAPT
SCHEMBL4578159 0.91 THRB (0.76) THRBTHRAKMT2AMEN1MAPT
SCHEMBL3613955 0.90 THRB (0.82) THRBTHRAKMT2AMEN1MAPT
SCHEMBL14192345 0.89 THRB (0.62) THRBTHRAKMT2AMEN1MAPT
SCHEMBL10633416 0.88 THRB (0.62) THRBKMT2AMAPTSMN1; SMN2PLA2G1B
SCHEMBL30354554 0.88 THRB (0.62) THRBKMT2AMAPTSMN1; SMN2PLA2G1B
SCHEMBL14192438 0.87 THRB (0.71) THRBTHRAKMT2AMEN1MAPT
SCHEMBL4904680 0.86 THRB (1.00) THRBTHRAKMT2AMEN1MAPT
SCHEMBL14400631 0.86 THRB (0.76) THRBTHRAKMT2AMEN1MAPT

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 3 patents. 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
US-7357964-B2 Liquid-crystalline vinyl ketone derivatives and their polymers CHISSO CORPORATION (JP) 2008-04-15 US disclosed
US-20050012070-A1 Liquid-crystalline vinyl ketone derivatives and their polymers JNC PETROCHEMICAL CORPORATION (JP) 2005-01-20 US disclosed