SCHEMBL8668770

SCHEMBL8668770

C[N-]C.C[N-]C.C[N-]C.Cc1ccc(C=CC=Cc2ccc(C)cc2)cc1.[Ti+3]C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.33
MAOB P27338 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FGF23 Q9GZV9 1/20 0.31
RELA Q04206 1/20 0.30
CA1 P00915 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL8669760 0.91 MAOB (0.42) MAOBALDH1A1KDM4EMEN1KMT2A
Phenol SCHEMBL8665891 0.88 ALDH1A1 (0.35) NFE2L2MAOBALDH1A1KDM4EMEN1
SCHEMBL8666257 0.84 MAOB (0.44) NFE2L2MAOBALDH1A1KDM4EMEN1
SCHEMBL8671280 0.80 HTR6 (0.31)
Butadiene SCHEMBL8668560 0.79 HTR6 (0.32)
SCHEMBL8669882 0.77
SCHEMBL30373042 0.76 HTR2A (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8664613 0.74 NOTUM (0.32)
Hydrochloric Acid SCHEMBL29386338 0.74 HTR2A (0.40) KDM4EMEN1KMT2ACYP3A4LMNA
Hydrochloric Acid SCHEMBL222444 0.74 HTR2A (0.40) KDM4EMEN1KMT2ACYP3A4LMNA

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 3 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
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed