SCHEMBL20329342

SCHEMBL20329342

C1=C(OC2CCCCC2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
HSD11B1 P28845 1/20 0.32
CSNK2A1 P68400 2/20 0.32
NPC1 O15118 1/20 0.31
EPHX1 P07099 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MCHR1 Q99705 2/20 0.30
JAK3 P52333 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL8228080 0.84 KDM1A (0.36) KDM1A
SCHEMBL11776519 0.83 HRH1 (0.37) EPHX1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL8965569 0.79 HSD11B1 (0.33) KDM1AHSD11B1
SCHEMBL10876875 0.76 KDM1A (0.34) KDM1A
SCHEMBL10876868 0.76 KDM1A (0.34) KDM1A
SCHEMBL10876862 0.76 KDM1A (0.34) KDM1A
SCHEMBL28422594 0.74 KDM1A (0.33) KDM1A
SCHEMBL13721177 0.74
SCHEMBL1134992 0.73 KDM1A (0.36) KDM1A
SCHEMBL12152841 0.73 NPC1 (0.30) NPC1EPHX1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339755-A1 POLYARYLENE SULFIDE COPOLYMER AND METHOD OF PRODUCING THE SAME TORAY INDUSTRIES, INC. (JP) 2020-10-29 US disclosed
US-20180179108-A1 DISPERSION OF (METH)ACRYLATE COPOLYMER CONTAINING A HYDROXYALKYL (METH)ACRYLATE FUNCTIONAL MONOMER UNIT FOR FLEXIBLE CEMENTITIOUS WATERPROOFING MATERIALS BASF SE (DE) 2018-06-28 US disclosed