SCHEMBL3260940

SCHEMBL3260940

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.37
BRS3 P32247 4/20 0.36
DHFR P00374 1/20 0.35
ERN1 O75460 1/20 0.35
LTB4R2 Q9NPC1 3/20 0.35
UCHL5 Q9Y5K5 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL6457704 1.00 PTPN11 (0.43) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL6422373 0.87 PTPN11 (0.59) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL3196604 0.87 PTPN11 (0.59) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL3260942 0.78 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6421561 0.71 PTPN11 (0.55) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL3195027 0.71 PTPN11 (0.55) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL8922483 0.71 PTPN11 (0.55) PTPN11PDE4APDE4BPDE4CPDE4D
SCHEMBL3184382 0.71 PTPN11 (0.55) PTPN11IDO1ALDH1A1LTB4R2
SCHEMBL18664391 0.71 KDM4E (0.57) PDE4APDE4BPDE4CPDE4D
SCHEMBL7167541 0.71 RARB (0.54) PTPN11PDE4APDE4BPDE4CPDE4D

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 3 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