SCHEMBL8664508

SCHEMBL8664508

C(C=CCc1ccccc1)=CCc1ccccc1.CC(C)=CC(C)=C[Ti+3].C[N-]C.C[N-]C.C[N-]C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ARG2 P78540 1/20 0.38
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TOP1 P11387 1/20 0.33
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
GPR55 Q9Y2T6 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
SCHEMBL8667356 0.88 MAOB (0.39) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL8666318 0.79 MAOB (0.41) MAOBCA1CA2ARG2TOP1
SCHEMBL8665817 0.73 MAOB (0.45) MAOBCA1CA2ARG2TOP1
SCHEMBL628859 0.72 MAOB (0.78) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL462351 0.72 MAOB (0.78) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL27558493 0.70 MAOB (0.74) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL30075910 0.70 MAOB (0.74) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL7629092 0.69 MAOB (0.48) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL7629095 0.69 MAOB (0.48) MAOBCA1CA2ARG2ALDH1A1
Tert-Butanol SCHEMBL8960018 0.69 MAOB (0.58) MAOBCA1CA2ARG2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed