SCHEMBL28049554

SCHEMBL28049554

CCCCCCOC(=O)c1cccc(C(=O)OC(=O)CCCCC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CNR2 P34972 1/20 0.48
ESR1 P03372 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
TSHR P16473 1/20 0.48
LTB4R Q15722 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL27818035 0.89 PLA2G4B (0.50) TSHRLTB4R
SCHEMBL28372834 0.85 HDAC3 (0.51) LMNAMAPTTSHRTDP1
SCHEMBL29093964 0.85 HDAC3 (0.51) LMNAMAPTTSHRTDP1
SCHEMBL27621479 0.84 ESR1 (0.59) LMNAESR1ALDH1A1NPC1MAPT
SCHEMBL21647146 0.84 LMNA (0.57) LMNACNR2ESR1ALDH1A1NPC1
SCHEMBL8460241 0.84 HDAC3 (0.49) LMNAMAPTTDP1
SCHEMBL5370832 0.84 LMNA (0.66) LMNACNR2ESR1ALDH1A1NPC1
SCHEMBL5373212 0.84 LMNA (0.66) LMNACNR2ESR1ALDH1A1NPC1
SCHEMBL19348924 0.84 LMNA (0.66) LMNACNR2ESR1ALDH1A1NPC1
SCHEMBL106401 0.84 LMNA (0.66) LMNACNR2ESR1ALDH1A1NPC1

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-105315624-A Teeth orthodontic material, preparation and application thereof UNIV BEIJING CHEMICAL 2016-02-10 CN disclosed
CN-105273328-A Transparent cold-resistant polyvinylchloride modified material, and preparation method and application thereof UNIV BEIJING CHEMICAL 2016-01-27 CN disclosed
CN-103374211-B Tooth orthodontic correction material and preparation thereof and purposes BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY (CN) 2016-01-06 CN disclosed