SCHEMBL8734384

SCHEMBL8734384

CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(OCC(F)CCCCCC)cc3F)cc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.45
RARA P10276 2/20 0.45
PTPN11 Q06124 4/20 0.41
RARG P13631 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PPARD Q03181 1/20 0.37
S1PR1 P21453 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8734379 1.00 RARB (0.45) RARBRARAPTPN11RARGPTPN1
SCHEMBL8734381 1.00 RARB (0.45) RARBRARAPTPN11RARGPTPN1
SCHEMBL8729757 0.89 PTPN11 (0.41) RARBRARAPTPN11THRBPPARG
SCHEMBL8729762 0.89 PTPN11 (0.41) RARBRARAPTPN11THRBPPARG
SCHEMBL8729765 0.89 PTPN11 (0.41) RARBRARAPTPN11THRBPPARG
SCHEMBL8733509 0.89 NPC1 (0.47) RARBRARAPTPN11THRBTHRA
SCHEMBL8733514 0.89 NPC1 (0.47) RARBRARAPTPN11THRBTHRA
SCHEMBL8733511 0.89 NPC1 (0.47) RARBRARAPTPN11THRBTHRA
SCHEMBL8733460 0.87 RARB (0.45) RARBRARAPTPN11RARGPTPN1
SCHEMBL8733462 0.87 RARB (0.45) RARBRARAPTPN11RARGPTPN1

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
EP-0703955-B1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECR DEFENCE BRIT (GB) 1998-11-11 EP disclosed
EP-0703955-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOV. OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-03 EP disclosed
WO-1994029405-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1994-12-22 WO disclosed