SCHEMBL13838129

SCHEMBL13838129

C=CC(=O)OCCCCCCCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCCCCCCCCCCCOC(=O)C=C)cc3)c(F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
THRB P10828 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
FAAH O00519 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL13838096 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838123 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838000 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837964 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837942 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837992 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837944 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838102 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13838121 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR
SCHEMBL13837959 1.00 HTT (0.44) HTTTHRBCYP3A4ALDH1A1TSHR

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-9011714-B2 Liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-21 US disclosed
US-20120286198-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-11-15 US disclosed