SCHEMBL19929461

SCHEMBL19929461

C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(OCCCOC(=O)C=C)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
MAPT P10636 6/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35

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
SCHEMBL20089571 0.89 NPC1 (0.38) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL20616102 0.87 THRB (0.49) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL20672698 0.87 THRB (0.49) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL18353288 0.87 THRB (0.49) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL12374423 0.87 THRB (0.49) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL13865598 0.86 LMNA (0.44) THRBMAPTNPC1SMN1; SMN2LMNA
SCHEMBL13865607 0.86 LMNA (0.44) THRBMAPTNPC1SMN1; SMN2LMNA
SCHEMBL22138764 0.86 THRB (0.48) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL20616070 0.86 THRB (0.48) THRBMAPTNPC1SMN1; SMN2RAB9A
SCHEMBL20615639 0.86 THRB (0.48) THRBMAPTNPC1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066189-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-03-08 US disclosed
US-20180066189-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-03-08 US disclosed