SCHEMBL2800638

SCHEMBL2800638

Cc1ccc(C2=C3c4c(-c5ccccc5)cccc4C2[Zr](Cl)(Cl)C2C(c4ccc(C)o4)=C(c4c(-c5ccccc5)cccc42)[Si]3(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 2/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL797335 0.80 PDCD1 (0.30)
SCHEMBL797311 0.74
SCHEMBL5067415 0.71 PDCD1 (0.31)
SCHEMBL7878204 0.66 PDCD1 (0.31)
SCHEMBL17387103 0.66 PDCD1 (0.31) KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7938880 0.66 CHRNB2 (0.33)
SCHEMBL7719073 0.65 PDCD1 (0.30)
Chloromethane SCHEMBL7185377 0.65 PDCD1 (0.30)
SCHEMBL796296 0.64 PSMB5 (0.32)
SCHEMBL1900079 0.64 PDCD1 (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
US-20100168323-A1 PROPYLENE-BASED POLYMER AND METHOD FOR PRODUCING THE SAME, AND PROPYLENE-BASED RESIN COMPOSITION JAPAN POLYPROPYLENE CORPORATION (JP) 2010-07-01 US disclosed