SCHEMBL8916039

SCHEMBL8916039

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OCCOC(=O)c3cc(OC(=O)c4ccc(OCCCOC(=O)C=C)cc4)ccc3OC(=O)c3ccc(OCCCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
HTT P42858 2/20 0.41
PTPN2 P17706 3/20 0.41
PTPN1 P18031 2/20 0.41
MAPT P10636 5/20 0.40
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
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL8915762 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8914426 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8912470 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8913444 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8915399 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8913538 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8914205 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8913742 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8913383 0.99 THRB (0.46) THRBHTTPTPN2PTPN1MAPT
SCHEMBL8914951 0.98 HTT (0.42) THRBHTTPTPN2PTPN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593617-A Photochemically polymerizable liquid crystals HOFFMANN-LAROCHE INC. (US) 1997-01-14 US disclosed