SCHEMBL14877832

SCHEMBL14877832

COc1ccc(CCC(=O)Oc2ccc(OC(=O)CCc3ccc(O)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.62
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
F2RL1 P55085 1/20 0.58
SLC5A1 P13866 1/20 0.57
SLC5A2 P31639 1/20 0.57
MAPT P10636 6/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
FFAR1 O14842 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51

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
SCHEMBL11246900 1.00 CALM1 (0.62) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL28224031 0.92 KMT2A (0.57) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL19757253 0.92 KMT2A (0.57) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL15014182 0.92 APP (0.59) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL14877841 0.91 NFKB1 (0.57) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL8767622 0.90 KMT2A (0.66) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL457128 0.88 SLC5A1 (0.62) CALM1NFKB1NFKB2RELAF2RL1
SCHEMBL2172184 0.87 KMT2A (0.66) F2RL1MAPTNPC1RAB9AFFAR1
SCHEMBL11424136 0.86 F2RL1 (0.57) NFKB1NFKB2RELAF2RL1SLC5A1
SCHEMBL28271408 0.85 KMT2A (0.72) F2RL1MAPTNPC1RAB9AFFAR1

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-9541690-B2 Film using polymerizable liquid crystal composition containing peeling preventive agent JNC CORPORATION (JP) 2017-01-10 US disclosed
US-20140308462-A1 FILM USING POLYMERIZABLE LIQUID CRYSTAL COMPOSITION CONTAINING PEELING PREVENTIVE AGENT JNC PETROCHEMICAL CORPORATION (JP) 2014-10-16 US disclosed
US-20140049738-A1 THREE-DIMENSIONAL IMAGE DISPLAY APPARATUS JNC PETROCHEMICAL CORPORATION (JP) 2014-02-20 US disclosed
US-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 US disclosed