SCHEMBL9157528

SCHEMBL9157528

O=C(O)/C=C/c1ccccc1CC(=O)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
FKBP1A P62942 2/20 0.48
HPGD P15428 1/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TBXA2R P21731 1/20 0.45
PTGER1 P34995 1/20 0.45
PTGFR P43088 1/20 0.45
PTGIR P43119 1/20 0.45
PTGDR Q13258 1/20 0.45
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KEAP1 Q14145 1/20 0.44

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
SCHEMBL9157538 1.00 MAPT (0.52) MAPTRAB9AKDM4ENPC1FKBP1A
SCHEMBL7427668 0.88 MAPT (0.48) MAPTRAB9AKDM4ENPC1FKBP1A
SCHEMBL7427677 0.88 MAPT (0.48) MAPTRAB9AKDM4ENPC1FKBP1A
SCHEMBL10479627 0.76 MAPT (0.57) MAPTRAB9AKDM4ENPC1FKBP1A
SCHEMBL6548977 0.75 PLK1 (0.47) MAPTRAB9AKDM4EHPGDALDH1A1
SCHEMBL6548980 0.75 PLK1 (0.47) MAPTRAB9AKDM4EHPGDALDH1A1
SCHEMBL8012913 0.75 PTGER3 (0.61) MAPTPTGER4PTGER3PTGER2TBXA2R
SCHEMBL8012911 0.75 PTGER3 (0.61) MAPTPTGER4PTGER3PTGER2TBXA2R
SCHEMBL11121684 0.75 MAPT (0.56) MAPTRAB9AKDM4ENPC1FKBP1A
SCHEMBL4719668 0.75 MGLL (0.68) MAPTRAB9AKDM4ENPC1FKBP1A

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
EP-0466405-B1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-02-22 EP disclosed
US-5312939-A 2,2'-bis (dicyclopentylphosphino)-1,1'-binaphthyl and transition metal complex using the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-05-17 US disclosed
EP-0466405-A1 2,2'-Bis(dicyclopenthylphosphino)-1-1'-binaphthyl and metal complexes thereof Takasago International Corporation (JP) 1992-01-15 EP disclosed