SCHEMBL6903737

SCHEMBL6903737

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
ALOX5 P09917 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
RARB P10826 7/20 0.32
CHRM2 P08172 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM4 P08173 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
RARA P10276 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 3/20 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
SCHEMBL6901827 0.96 CHRM2 (0.35) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6903407 0.93 CHRM2 (0.30) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6903493 0.91 CHRM2 (0.30) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6903352 0.90 CHRM2 (0.33) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6901831 0.89 RARB (0.35) PTGS1PTGS2HSD17B10TSHRRARB
SCHEMBL6902721 0.88 HSD11B1 (0.37) HSD17B10TSHRRARBS1PR1S1PR5
SCHEMBL6902952 0.88 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6901752 0.87 KDM4E (0.35) CHRM2CHRM5CHRM1CHRM3CHRM4
SCHEMBL6904154 0.87 ALDH1A1 (0.33) HSD17B10CHRM2CHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL6900458 0.85 ALOX5 (0.34) PTGS1PTGS2ALOX5HSD17B10TSHR

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