SCHEMBL2235956

SCHEMBL2235956

Cc1ccc(C2=Cc3c(ccc(C)c3-c3ccc(-c4ccccc4)cc3)C2C[SiH2]CC2C(c3ccc(C)o3)=Cc3c2ccc(C)c3-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 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
SCHEMBL22499757 0.81 PTGS1 (0.39) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL2234262 0.81 PTGS1 (0.40) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL28884792 0.81 PTGS1 (0.34) PTGS1PTGS2
SCHEMBL15810075 0.79 PTGS1 (0.35) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL22499655 0.79 PTGS1 (0.40) PTGS1PTGS2KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2235913 0.78 PTGS1 (0.34) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL2235899 0.78 PTGS1 (0.42) PTGS1PTGS2KDM4EMEN1ALDH1A1
Hydrochloric Acid SCHEMBL28668206 0.78 PTGS1 (0.39) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL15810076 0.78 PTGS1 (0.36) PTGS1PTGS2KDM4EMEN1ALDH1A1
SCHEMBL2235919 0.78 PTGS1 (0.34) PTGS1PTGS2KDM4EMEN1ALDH1A1

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-2360163-A1 METALLOCENE COMPLEX AND METHOD FOR POLYMERIZING OLEFIN Japan Polypropylene Corporation (JP) 2011-08-24 EP disclosed