SCHEMBL8408097

SCHEMBL8408097

C=CC(=O)OC(CC)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31
CHRM2 P08172 2/20 0.30
CHRM1 P11229 2/20 0.30
KCNH2 Q12809 2/20 0.30
SLC6A3 Q01959 1/20 0.30
THRA P10827 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL4325852 0.84 TSHR (0.40) THRBTSHRHPGDEPHX1
SCHEMBL16181798 0.81 THRB (0.36) THRBTSHRHPGDALDH1A1NPSR1
SCHEMBL8505293 0.80 ALDH1A1 (0.44) THRBTSHRHPGDALDH1A1TP53
SCHEMBL24084277 0.77 NAAA (0.34) ALDH1A1NPSR1EPHX1CHRM2CHRM1
SCHEMBL20398009 0.77 EPHX1 (0.33) ALDH1A1NPSR1EPHX1CHRM2CHRM1
SCHEMBL676350 0.77 EPHX1 (0.33) THRBEPHX1THRA
SCHEMBL5004300 0.77 EPHX1 (0.33) THRBEPHX1THRA
SCHEMBL12941446 0.77 TSHR (0.32) THRBTSHR
SCHEMBL4929211 0.77 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL6066267 0.77 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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
EP-0703505-B1 Toner for two-component type developer MITA INDUSTRIAL CO LTD (JP) 1999-07-14 EP disclosed
US-5750301-A BINDER RESINS WITH ANIONIC GROUPS AND GRAFTED WAX WITH MAGNETIC POWDERS MITA INDUSTRIAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0744668-A2 Toner for two-component magnetic developing agent MITA INDUSTRIAL CO. LTD. (JP) 1996-11-27 EP disclosed
EP-0704768-A1 Toner for a two-component type developer MITA INDUSTRIAL CO., LTD. (JP) 1996-04-03 EP disclosed