SCHEMBL7630771

SCHEMBL7630771

CC1=C(C)C([Ti](C)(C)([SiH3])(Cl)(Cl)NC(=O)C2CCCCCCCCCCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 2/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
CETP P11597 1/20 0.35
HDAC3 O15379 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALOX12 P18054 1/20 0.34

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
SCHEMBL8714774 0.79 BCHE (0.40) CYP2C19ALDH1A1GAAMEN1KMT2A
SCHEMBL2033385 0.78 CYP2C19 (0.43) CYP2C19P2RX7HPGDHDAC1HDAC2
SCHEMBL7627311 0.76 P2RX7 (0.42) P2RX7HPGDKDM4EMEN1KMT2A
SCHEMBL7636583 0.72 CYP2C19 (0.45) CYP2C19P2RX7HPGDHDAC1HDAC2
SCHEMBL8008148 0.69 CYP2C19 (0.41) CYP2C19P2RX7HPGDHDAC1HDAC2
SCHEMBL7743272 0.69 CYP2C19 (0.41) CYP2C19P2RX7HPGDHDAC1HDAC2
Hydrochloric Acid SCHEMBL7630764 0.68 CYP2C19 (0.40) CYP2C19P2RX7HPGDHDAC1HDAC2
SCHEMBL7753151 0.68 NPC1 (0.40) CYP2C19P2RX7HPGDHDAC1HDAC2
Hydrochloric Acid SCHEMBL7753199 0.63 CYP2C19 (0.45) CYP2C19P2RX7HPGDHDAC1HDAC2
SCHEMBL2039752 0.61 CYP2C19 (0.43) CYP2C19P2RX7HPGDHDAC1HDAC2

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-0874860-B1 SUBSTITUTED INDENYL CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS DOW CHEMICAL CO (US) 2002-11-13 EP disclosed
US-6015868-A CATALYSIS OF HIGH TEMPERATURE, SOLUTION POLYMERIZATION WHICH YIELDS HIGH MOLECULAR WEIGHT OLEFIN POLYMERS, BY USING COORDINATION CATALYST MIXED WITH AN ACTIVATING COCATALYST, EFFICIENCY THE DOW CHEMICAL COMPANY (US) 2000-01-18 US disclosed