SCHEMBL7170404

SCHEMBL7170404

CCCCCCCOc1ccc(-c2ccccc2C(=O)O)cc1N

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 10/20 0.80
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
PTPN1 P18031 2/20 0.52
PTPN6 P29350 1/20 0.52
S1PR3 Q99500 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL27245989 0.89 PTPN11 (1.00) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL3196604 0.83 PTPN11 (0.59) PTPN11ALDH1A1BRS3
SCHEMBL6422373 0.83 PTPN11 (0.59) PTPN11ALDH1A1BRS3
SCHEMBL7170306 0.82 PTPN11 (0.73) PTPN11PTPN1PTPN6S1PR3
SCHEMBL7166121 0.82 PTPN11 (0.73) PTPN11MEN1LMNAMAPTKMT2A
SCHEMBL8170029 0.80 PTPN11 (0.74) PTPN11PTPN1PTPN6ALDH1A1
SCHEMBL17835424 0.80 PTPN11 (0.74) PTPN11KDM4EALDH1A1
SCHEMBL9407174 0.80 PTPN11 (0.74) PTPN11KDM4EALDH1A1
SCHEMBL9723854 0.80 PTPN11 (0.74) PTPN11KDM4EALDH1A1
SCHEMBL10397754 0.80 PTPN11 (0.74) PTPN11KDM4EALDH1A1

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-6569504-B1 Dimers of LC-like compounds in which the monomers are linked to each other through a high birefringence moiety (dimerization linker) DISPLAYTECH, INC. 2003-05-27 US disclosed
US-6139771-A USEFUL IN ELECTOOPTICAL AND NON-LINEAR OPTICAL APPLICATIONS DISPLAYTECH, INC. (US) 2000-10-31 US disclosed