SCHEMBL2045463

SCHEMBL2045463

C[Si](c1ccccc1)=[Ti](Cl)(Cl)(NC(=O)C12CC3CC(CC(C3)C1)C2)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 3/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.39
CNR2 P34972 2/20 0.38
ABCB1 P08183 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
AGTR1 P30556 1/20 0.37
OPRK1 P41145 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2035059 0.89 MEN1 (0.44) NPSR1MEN1KMT2AP2RX7HPGD
SCHEMBL2042106 0.78 GAA (0.39) MEN1KMT2AHPGDMAPK1KDM4E
SCHEMBL2036882 0.76 HPGD (0.40) P2RX7HPGDABCG2LMNA
Hydrochloric Acid SCHEMBL2038514 0.70 P2RX7 (0.44) NPSR1MEN1KMT2AP2RX7HPGD
SCHEMBL8011174 0.70 P2RX7 (0.43) NPSR1MEN1KMT2AP2RX7HPGD
Hydrochloric Acid SCHEMBL2044611 0.68 MEN1 (0.45) NPSR1MEN1KMT2AP2RX7HPGD
SCHEMBL2046038 0.67 KMT2A (0.41) MEN1KMT2AHPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL2034384 0.67 MEN1 (0.44) NPSR1MEN1KMT2AP2RX7HPGD
SCHEMBL2039752 0.64 CYP2C19 (0.43) P2RX7HPGDKDM4ELMNASMN1; SMN2
SCHEMBL2036091 0.64 HPGD (0.42) HPGDRAB9ANPC1LMNAGAA

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-2516598-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS Exxonmobil Chemical Patents Inc. (US) 2012-10-31 EP disclosed
WO-2011079042-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-06-30 WO disclosed