SCHEMBL12769578

SCHEMBL12769578

C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4C)ccc2-3)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
THRB P10828 2/20 0.31
PDK2 Q15119 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALK Q9UM73 2/20 0.30
GSTP1 P09211 1/20 0.30

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
SCHEMBL14117058 0.96 NPC1 (0.34) RARARARBKMT2AMEN1NPC1
SCHEMBL12769568 0.96 NPC1 (0.34) RARARARBKMT2AMEN1NPC1
SCHEMBL14117094 0.95 PDK2 (0.36) KMT2AMEN1NPC1CASP3SENP8
SCHEMBL9611215 0.89 HIF1A (0.38) KMT2AMEN1MAPT
SCHEMBL13664616 0.87 HIF1A (0.35) RARARARBKMT2AMEN1THRB
SCHEMBL11986166 0.87 HIF1A (0.36) RARARARBKMT2AMEN1THRB
SCHEMBL14614873 0.86 L3MBTL1 (0.41) KMT2AMEN1NPC1CASP3SENP8
SCHEMBL11986046 0.85 GSTP1 (0.36) RARARARBKMT2AMEN1NPC1
SCHEMBL15480718 0.84 THRB (0.39) RARARARBKMT2AMEN1THRB
SCHEMBL13024945 0.84 THRB (0.39) RARARARBKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120274888-A1 OPTICALLY ANISOTROPIC SUBSTANCE JNC PETROCHEMICAL CORPORATION (JP) 2012-11-01 US disclosed
US-RE42221-E1 Polymerizable liquid crystal composition and polymer thereof CHISSO CORPORATION (JP) 2011-03-15 US disclosed
US-20100297367-A1 OPTICALLY ANISOTROPIC SUBSTANCE CHISSO CORPORATION (JP) 2010-11-25 US disclosed
US-7378135-B2 Polymerizable liquid crystal composition and optically anisotropic thin film CHISSO CORPORATION (JP) 2008-05-27 US disclosed