SCHEMBL12199819

SCHEMBL12199819

CCC1(COCCCCCCOc2ccc(C(=O)Oc3ccc(C(=O)Oc4ccc(C)cc4)cc3)cc2)COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
PRSS1 P07477 2/20 0.42
ACR P10323 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10051163 0.94 LMNA (0.49) LMNANPC1NFKB1NFKB2RELA
SCHEMBL14117082 0.93 NPC1 (0.41) LMNANPC1NFKB1NFKB2RELA
SCHEMBL762322 0.93 LMNA (0.56) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9607798 0.92 LMNA (0.47) LMNANPC1NFKB1NFKB2RELA
SCHEMBL14117084 0.92 NPC1 (0.40) LMNANPC1NFKB1NFKB2RELA
SCHEMBL13882229 0.92 NPC1 (0.46) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9607797 0.91 LMNA (0.46) LMNANPC1NFKB1NFKB2RELA
SCHEMBL14363594 0.91 LMNA (0.46) LMNANPC1NFKB1NFKB2RELA
SCHEMBL12198492 0.90 LMNA (0.46) LMNANPC1NFKB1NFKB2RELA
SCHEMBL9965882 0.90 LMNA (0.46) LMNANPC1NFKB1NFKB2RELA

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-8455061-B2 Optically active compound having polymerizable group and its polymer JNC CORPORATION (JP) 2013-06-04 US disclosed
US-20110240918-A1 OPTICALLY ACTIVE COMPOUND HAVING POLYMERIZABLE GROUP AND ITS POLYMER CHISSO CORPORATION (JP) 2011-10-06 US disclosed