SCHEMBL6525880

SCHEMBL6525880

C[Si](C)(NC1CCCCCCCCCCC1)C1C=C(N2CCCC2)c2ccccc21.[Ti].[Ti].[Ti].[Ti]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HSD11B1 P28845 1/20 0.34
TSHR P16473 5/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HKDC1 Q2TB90 1/20 0.33

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
SCHEMBL6912076 0.99 BCHE (0.38) BCHEACHEHSD11B1TSHRHTT
SCHEMBL5679095 0.81 CYP2C19 (0.41) TSHRHTTCYP2C19LMNAALDH1A1
SCHEMBL6442092 0.81 CYP2C19 (0.41) TSHRHTTCYP2C19LMNAALDH1A1
SCHEMBL6907620 0.80 TSHR (0.35) TSHRHTTL3MBTL1MEN1CYP1A2
SCHEMBL5679143 0.80 DRD2 (0.33) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6749148 0.79 DRD2 (0.33) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6864763 0.78 TSHR (0.33) TSHRHTTLMNAALDH1A1APAF1
Hydrochloric Acid SCHEMBL6851450 0.78 TSHR (0.33) TSHRHTTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6851446 0.78 TSHR (0.33) TSHRHTTLMNAALDH1A1APAF1
Hydrochloric Acid SCHEMBL6864767 0.78 TSHR (0.33) TSHRHTTCYP1A2CYP3A4CYP2C9

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
EP-1509552-A1 SOLID, PARTICULATED, SPRAY DRIED, HETEROGENOUS CATALYST COMPOSITION Univation Technologies LLC (US) 2005-03-02 EP disclosed
WO-2003102037-A1 SOLID, PARTICULATED, SPRAY DRIED, HETEROGENOUS CATALYST COMPOSITION UNIVATION TECHNOLOGIES, LLC (US) 2003-12-11 WO disclosed