SCHEMBL3196604

SCHEMBL3196604

CCCCCC[C@H](C)Oc1ccc(-c2ccccc2C(=O)O)cc1N

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.59
ALDH1A1 P00352 1/20 0.52
LTB4R2 Q9NPC1 3/20 0.43
BRS3 P32247 5/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
IDO1 P14902 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
SCHEMBL6422373 1.00 PTPN11 (0.59) PTPN11ALDH1A1LTB4R2BRS3PDE4A
SCHEMBL3260940 0.87 PTPN11 (0.43) PTPN11ALDH1A1LTB4R2BRS3PDE4A
SCHEMBL6457704 0.87 PTPN11 (0.43) PTPN11ALDH1A1LTB4R2BRS3PDE4A
SCHEMBL3184382 0.84 PTPN11 (0.55) PTPN11ALDH1A1LTB4R2IDO1
SCHEMBL6421561 0.84 PTPN11 (0.55) PTPN11ALDH1A1LTB4R2BRS3PDE4A
SCHEMBL8922483 0.84 PTPN11 (0.55) PTPN11ALDH1A1LTB4R2BRS3PDE4A
SCHEMBL3195027 0.84 PTPN11 (0.55) PTPN11ALDH1A1LTB4R2BRS3PDE4A
SCHEMBL7167541 0.83 RARB (0.54) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL7170404 0.83 PTPN11 (0.80) PTPN11ALDH1A1BRS3
SCHEMBL8170027 0.82 PDE4A (0.54) PTPN11ALDH1A1PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7682521-B2 Aligned liquid crystal thin films and glasses THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-03-23 US disclosed
US-20070080322-A1 Aligned liquid crystal thin films and glasses THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2007-04-12 US disclosed
WO-2005019911-A2 ALIGNED LIQUID CRYSTAL THIN FILMS AND GLASSES THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2005-03-03 WO disclosed
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