SCHEMBL7537517

SCHEMBL7537517

CCCCCc1cc(CCCCC)cc(O[Ti](C2=C(C(C)(C)C)C=CC2)[SiH](C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FUT7 Q11130 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CNR1 P21554 5/20 0.31
CNR2 P34972 3/20 0.31
GPR84 Q9NQS5 2/20 0.31
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL2384322 0.99 PTGS2 (0.36) PTGS2CA1CA2CA9FUT7
SCHEMBL5084050 0.84 PTGS2 (0.36) PTGS2CA1CA2CA9FUT7
Hydrochloric Acid SCHEMBL2382426 0.83 PTGS2 (0.35) PTGS2CA1CA2CA9FUT7
SCHEMBL8002107 0.82 PTGS2 (0.35) PTGS2CA1CA2CA9FUT7
Hydrochloric Acid SCHEMBL2383371 0.81 PTGS2 (0.34) PTGS2CA1CA2CA9FUT7
Hydrochloric Acid SCHEMBL2384132 0.76 PTGS2 (0.37) PTGS2CA1CA2CA9FUT7
Hydrochloric Acid SCHEMBL2382057 0.72
Hydrochloric Acid SCHEMBL2384772 0.70
Hydrochloric Acid SCHEMBL6356619 0.70 PTGS2 (0.36) PTGS2CA1CA2CA9FUT7
Hydrochloric Acid SCHEMBL2383673 0.68

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-0842955-B1 Propylene-1-butene copolymer SUMITOMO CHEMICAL CO (JP) 2002-05-22 EP disclosed