SCHEMBL7187657

SCHEMBL7187657

CCCCCc1ccc(-c2cccc3c2C=C(CC)C3C[SiH]([Zr])CC2C(CC)=Cc3c(-c4ccc(CCCCC)cc4)cccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
RARA P10276 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
HTR2C P28335 2/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
TLR8 Q9NR97 1/20 0.32
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31

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
SCHEMBL7189790 0.99 RARB (0.36) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7189796 0.97 RARB (0.34) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7191357 0.93 RARB (0.37) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7194528 0.92 RARB (0.36) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7189569 0.92 RARB (0.36) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7194426 0.92 RARB (0.36) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7194492 0.92
SCHEMBL7194259 0.91 RARB (0.35) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7187649 0.90 TLR8 (0.33) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7184016 0.90 RARB (0.34) RARBALDH1A1MEN1RARAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054911-B1 CATALYST SYSTEM, METHOD FOR THE PRODUCTION THEREOF AND ITS USE FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2003-01-22 EP claimed