SCHEMBL8448969

SCHEMBL8448969

CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 4/20 0.45
PTPN11 Q06124 1/20 0.44
RARB P10826 3/20 0.43
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9477526 0.92 NPC1 (0.57) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9457633 0.92 NPC1 (0.57) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9406028 0.92 NPC1 (0.57) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9406307 0.92 NPC1 (0.57) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9406219 0.92 NPC1 (0.57) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL8729949 0.91 THRA (0.44) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL8449005 0.90 LMNA (0.49) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9405742 0.88 RARB (0.53) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9405901 0.88 RARB (0.53) NPC1LMNASMN1; SMN2NFKB1NFKB2
SCHEMBL9406583 0.88 RARB (0.53) NPC1LMNASMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861109-A Liquid crystal materials, mixtures and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVALUATION RESEARCH AGENCY (GB) 1999-01-19 US disclosed
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