SCHEMBL6901831

SCHEMBL6901831

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)o2)C3[Zr]C2C(c3ccc(C)o3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
HSD11B1 P28845 3/20 0.33
TOP2A P11388 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
RARA P10276 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
DRD2 P14416 1/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 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
SCHEMBL6904772 0.96 HSD11B1 (0.32) HSD11B1ALDH1A1MEN1MAPTKMT2A
SCHEMBL6898054 0.92
SCHEMBL6902721 0.89 HSD11B1 (0.37) RARBHSD17B10TSHRHSD11B1ALDH1A1
SCHEMBL6903737 0.89 PTGS1 (0.35) RARBHSD17B10TSHRHSD11B1ALDH1A1
SCHEMBL6902288 0.88 EDNRB (0.31)
Hydrochloric Acid SCHEMBL6898160 0.85 RARB (0.33) RARBHSD17B10TSHRHSD11B1TOP2A
SCHEMBL6903352 0.85 CHRM2 (0.33) ALDH1A1MAPTS1PR1CHRM2CHRM5
SCHEMBL6901827 0.85 CHRM2 (0.35) ALDH1A1MAPTS1PR1CHRM2CHRM5
SCHEMBL6902351 0.85 EIF4A1 (0.38) HSD11B1
SCHEMBL6902435 0.83 TDP1 (0.36) HSD17B10TSHRALDH1A1MEN1MAPT

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-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed