SCHEMBL7927136

SCHEMBL7927136

C#CC(=O)O[Ti](C)(C)(=[SiH2])(OC(=O)C#C)(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HTR2B P41595 2/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 1/20 0.35
PNMT P11086 1/20 0.34
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7927841 0.88 RAB9A (0.35) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7927604 0.85 RAB9A (0.48) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7927235 0.82 RAB9A (0.43) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7930733 0.81 RAB9A (0.42) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7924646 0.81 RAB9A (0.42) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7925416 0.81 RAB9A (0.41) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7928735 0.81 RAB9A (0.41) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7928450 0.81 RAB9A (0.44) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7919529 0.79 MAPT (0.40) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7927579 0.79 RAB9A (0.40) RAB9ANPC1HTR2BHTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed