SCHEMBL7189564

SCHEMBL7189564

CCCCCCc1ccc(-c2cccc3c2C2=C(CCC)C3[Zr]C3C(CCC)=C(c4c(-c5ccc(CCCCCC)cc5)cccc43)[Si]2(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
TSHR P16473 1/20 0.34
RARB P10826 6/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
RARA P10276 1/20 0.34
MTOR P42345 1/20 0.34
HSD11B1 P28845 3/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
ESR1 P03372 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HTR2A P28223 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL7191351 0.97 HSD17B10 (0.35) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL7194525 0.96 HSD17B10 (0.34) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL7194423 0.96 HSD17B10 (0.34) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL7184015 0.96 HSD17B10 (0.32) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL7182826 0.96 BRS3 (0.34) RARBHSD11B1CTSVCTSL
SCHEMBL7189785 0.94 HSD17B10 (0.35) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL7187654 0.93 HSD11B1 (0.35) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL7194254 0.92 BRS3 (0.35) RARBHSD11B1CTSVCTSL
SCHEMBL7187645 0.91 EDNRB (0.32) SLC6A2SLC6A4HTR2CHTR2ADRD2
SCHEMBL7182585 0.91 BRS3 (0.32)

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