SCHEMBL6903890

SCHEMBL6903890

CCCc1ccc(C2=Cc3c(-c4cccc5ccccc45)cccc3C2[Zr]C2C(c3ccc(CCC)o3)=Cc3c(-c4cccc5ccccc45)cccc32)o1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 3/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HTR6 P50406 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
SLC6A4 P31645 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6903109 0.91 HTR6 (0.35) ALOX15KDM4EALDH1A1GAACASP1
SCHEMBL6904154 0.86 ALDH1A1 (0.33) KDM4EALDH1A1HSD17B10
SCHEMBL6903255 0.85 ABCB1 (0.31)
Hydrochloric Acid SCHEMBL6901342 0.84 HTR6 (0.33) HTR6SLC6A4
SCHEMBL6902681 0.83 MAOA (0.33) ALOX15KDM4EALDH1A1GAACASP1
SCHEMBL6903407 0.82 CHRM2 (0.30)
SCHEMBL6903493 0.82 CHRM2 (0.30)
SCHEMBL6901752 0.82 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6902347 0.81 ALDH1A1 (0.39) ALOX15KDM4EALDH1A1GAACASP1
SCHEMBL6901791 0.80

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