SCHEMBL7614575

SCHEMBL7614575

C[Ti](C)(NC(=O)C1CCCCC1)C1C(c2cc[nH]c2)=Cc2ccccc21.[SiH4]

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.33
CYP2C19 P33261 2/20 0.33
OPRM1 P35372 2/20 0.32
P2RX7 Q99572 2/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.31
CETP P11597 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1F P30939 1/20 0.31
PTPN1 P18031 1/20 0.31
MTNR1A P48039 1/20 0.31

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
SCHEMBL5969058 0.92 POLB (0.31) HPGDRAB9A
SCHEMBL6856849 0.91
Hydrochloric Acid SCHEMBL5968682 0.77 HPGD (0.33) SMN1; SMN2HPGDCYP2C19OPRM1P2RX7
Butadiene SCHEMBL8463476 0.69 CYP2C19 (0.41) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL7743272 0.69 CYP2C19 (0.41) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8463296 0.69 CYP2C19 (0.41) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8008148 0.69 CYP2C19 (0.41) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL6465538 0.67 ALDH1A1 (0.41) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8465641 0.66 HPGD (0.40) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8463320 0.66 CYP2C19 (0.39) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259556-A2 IMPROVED SILANE FUNCTIONALIZED OLEFIN INTERPOLYMERS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 2002-11-27 EP disclosed
US-6258902-B1 USING A METAL COMPLEX CATALYST AND AN ALKENYL CONTAINING HYDROCARBYLSILANE THE DOW CHEMICAL COMPANY 2001-07-10 US disclosed
WO-2001009207-A2 IMPROVED SILANE FUNCTIONALIZED OLEFIN INTERPOLYMERS AND DERIVATIVES THEREOF THE DOW CHEMICAL COMPANY (US) 2001-02-08 WO disclosed
EP-1054910-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 2000-11-29 EP disclosed
WO-1999041289-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS THE DOW CHEMICAL COMPANY (US) 1999-08-19 WO disclosed