SCHEMBL8677152

SCHEMBL8677152

C=C(C)C(=C)C.C[Ti](C)(NC(=O)C1CCCCCCCCCCC1)C1C=Cc2ccccc21.[SiH4]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
CYP2C19 P33261 2/20 0.36
P2RX7 Q99572 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 3/20 0.34
CETP P11597 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
OPRM1 P35372 1/20 0.33
LMNA P02545 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
Butadiene SCHEMBL8463388 0.91 SMN1; SMN2 (0.37) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8466479 0.90 NPC1 (0.35) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8462546 0.90 HPGD (0.37) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8463296 0.79 CYP2C19 (0.41) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8465654 0.79 MEN1 (0.33) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL8463592 0.75
SCHEMBL8523278 0.74
SCHEMBL8678016 0.73 HPGD (0.36) SMN1; SMN2HPGDCYP2C19P2RX7ALDH1A1
SCHEMBL8678439 0.72 MEN1 (0.33) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL8601079 0.72 MEN1 (0.36) SMN1; SMN2HPGDALDH1A1NPC1RAB9A

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
US-5770538-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1998-06-23 US disclosed
EP-0767795-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5539068-A Group 4, metal-conjugated diene metallocyclopentene complexes, and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-07-23 US disclosed
US-5486632-A Group 4 metal diene complexes and addition polymerization catalysts therefrom THE DOW CHEMICAL COMPANY (US) 1996-01-23 US disclosed
WO-1996000734-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed