SCHEMBL17840354

SCHEMBL17840354

CCCCCCCCOC(=O)c1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.72
LMNA P02545 3/20 0.72
NFKB1 P19838 3/20 0.72
NFKB2 Q00653 3/20 0.72
RELA Q04206 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
MAPT P10636 5/20 0.69
ALDH1A1 P00352 2/20 0.69
MEN1 O00255 1/20 0.69
HPGD P15428 1/20 0.69
KMT2A Q03164 1/20 0.69
RAB9A P51151 1/20 0.64
TP53 P04637 1/20 0.63
TSHR P16473 1/20 0.63
STS P08842 5/20 0.63

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
SCHEMBL9142556 1.00 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19188726 1.00 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9141566 1.00 NPC1 (0.72) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9455825 0.96 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL9545764 0.96 NPC1 (0.67) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19373812 0.95 MAPT (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19373809 0.95 MAPT (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL10344104 0.95 MAPT (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19373815 0.95 MAPT (0.74) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19373811 0.95 MAPT (0.74) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153564-B Templated synthesis of shape controlled polymer nanofibers by Chemical Vapor Deposition (CVD) in liquid crystals 密歇根大学董事会 2021-10-29 CN disclosed
US-9863923-B2 Method of detection of volatile organic compounds using liquid crystals that form a blue phase; and device for stabilization and thickness control of liquid crystal films WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-01-09 US disclosed
US-20160178588-A1 METHOD OF DETECTION OF VOLATILE ORGANIC COMPOUNDS USING LIQUID CRYSTALS THAT FORM A BLUE PHASE; AND DEVICE FOR STABILIZATION AND THICKNESS CONTROL OF LIQUID CRYSTAL FILMS WISCONSIN ALUMNI RESEARCH FOUNDATION 2016-06-23 US disclosed