SCHEMBL10340804

SCHEMBL10340804

CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(CCCCC)cc3F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
LMNA P02545 3/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
FAAH O00519 5/20 0.52
MAPT P10636 3/20 0.50
POLB P06746 1/20 0.50
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.48
PLA2G4B P0C869 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
SCHEMBL20594544 0.98 FAAH (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9405912 0.98 FAAH (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL11227878 0.95 FAAH (0.56) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9475541 0.94 RARB (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9405799 0.94 RARB (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9406265 0.91 FAAH (0.51) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19789523 0.91 RARB (0.50) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9641396 0.88 RARB (0.53) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9640193 0.88 RARB (0.53) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9405786 0.88 RARB (0.59) NPC1LMNANFKB1NFKB2RELA

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-4952337-A FERROELECTRIC MATERIALS THE SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM, OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-08-28 US disclosed
EP-0210215-B1 FLUORINATED PHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1990-03-14 EP disclosed
US-4769176-A Biphenyl esters and liquid crystal materials and devices containing them THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1988-09-06 US disclosed
EP-0210215-A1 Fluorinated phenyl esters and liquid crystal materials and devices containing them. SECR DEFENCE BRIT (GB) 1987-02-04 EP disclosed
WO-1986004327-A1 BIPHENYL ESTERS AND LIQUID CRYSTAL MATERIALS AND DEVICES CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1986-07-31 WO disclosed