SCHEMBL8912864

SCHEMBL8912864

C=CC(=O)OCCCCCCOc1ccc(C(=O)OCCCOC(=O)c2cc(OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)ccc2OC(=O)c2ccc(OCCCCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
PTPN2 P17706 2/20 0.42
PTPN1 P18031 1/20 0.42
THRB P10828 1/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL8914745 1.00 HTT (0.42) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8914190 1.00 HTT (0.42) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8912465 1.00 HTT (0.42) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8914185 1.00 HTT (0.42) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8912477 1.00 HTT (0.42) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8913185 1.00 HTT (0.42) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8913449 0.99 HTT (0.43) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8913815 0.99 HTT (0.43) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8913193 0.99 HTT (0.43) HTTPTPN2PTPN1THRBMAPT
SCHEMBL8914798 0.99 HTT (0.43) HTTPTPN2PTPN1THRBMAPT

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