SCHEMBL8656018

SCHEMBL8656018

CC(C)[Ti](Cl)(C(C)C)C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.34
HTR6 P50406 1/20 0.33
HTR2A P28223 2/20 0.32
BRD4 O60885 1/20 0.30
CCL2 P13500 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 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
SCHEMBL395683 0.79 HTR2A (0.38) SIGMAR1HTR6HTR2ABRD4CCL2
SCHEMBL1929586 0.79 HTR2A (0.38) SIGMAR1HTR6HTR2ABRD4CCL2
Ethylene SCHEMBL9409610 0.76 HTR2A (0.35) HTR6HTR2A
SCHEMBL4373641 0.75 RET (0.33) SIGMAR1HTR6HTR2ABRD4CCL2
SCHEMBL3699818 0.75 HTR2A (0.38) SIGMAR1HTR6HTR2ABRD4CCL2
SCHEMBL7196286 0.75 HTR2A (0.38) SIGMAR1HTR6HTR2ABRD4CCL2
SCHEMBL31427622 0.75 HTR2A (0.38) SIGMAR1HTR6HTR2ABRD4CCL2
SCHEMBL719834 0.74 GABRA1 (0.31) SIGMAR1LMNACYP3A4SLC6A2HTR2C
Ethylene SCHEMBL9409581 0.72 HTR2A (0.35) SIGMAR1HTR6HTR2ABRD4CCL2
SCHEMBL395194 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719235-A Catalyst system, use of this catalyst system for the (co)polymerization of olefins, process for preparing this catalyst system and olefin (co)polymerization process SOLVAY (SOCIETE ANONYME) (BE) 1998-02-17 US disclosed
US-5496782-A Catalyst system, use of this catalyst system for the (co)polymerization of olefins, process for preparing this catalyst system and olefin (co) polymerization process Solvay (Socie/ te/ Anonyme) (BE) 1996-03-05 US disclosed