SCHEMBL14877853

SCHEMBL14877853

COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)OC3CC(C)CCC3C(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.49
MAPT P10636 7/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
MITF O75030 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 3/20 0.44
GFER P55789 1/20 0.43
F3 P13726 1/20 0.42
CYP19A1 P11511 2/20 0.41
HCRTR1 O43613 1/20 0.41
GLA P06280 1/20 0.41
IDE P14735 1/20 0.41

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
SCHEMBL14877854 0.96 TRPV1 (0.48) TRPV1MAPTKDM4EALDH1A1TRPM8
SCHEMBL28040137 0.92 TRPM8 (0.51) TRPV1MAPTALDH1A1TRPM8HPGD
SCHEMBL28040136 0.92 TRPM8 (0.51) TRPV1MAPTALDH1A1TRPM8HPGD
SCHEMBL16802281 0.88 TRPV1 (0.57) TRPV1MAPTKDM4EALDH1A1TRPM8
SCHEMBL12567743 0.86 ALDH1A1 (0.38) TRPV1MAPTKDM4EALDH1A1HPGD
SCHEMBL14877852 0.85 TRPV1 (0.54) TRPV1MAPTKDM4EALDH1A1TRPM8
SCHEMBL14877857 0.85 TRPV1 (0.54) TRPV1MAPTKDM4EALDH1A1TRPM8
SCHEMBL13560800 0.83 ALDH1A1 (0.58) TRPV1MAPTKDM4EALDH1A1TRPM8
SCHEMBL18585887 0.82 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL12567747 0.82 ALDH1A1 (0.40) TRPV1MAPTKDM4EALDH1A1TRPM8

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-9057018-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and polymer thereof JNC CORPORATION (JP) 2015-06-16 US disclosed
US-8425988-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition and anisotropic polymer JNC CORPORATION (JP) 2013-04-23 US disclosed