SCHEMBL7919401

SCHEMBL7919401

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HTR2B P41595 3/20 0.38
HTR7 P34969 2/20 0.38
PNMT P11086 1/20 0.35
HTR2C P28335 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SRD5A2 P31213 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
DRD2 P14416 2/20 0.31
ADRA1D P25100 1/20 0.31
HTR2A P28223 1/20 0.31
ADRA1A P35348 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
SCHEMBL7925530 0.88 NPC1 (0.36) RAB9ANPC1HTR2BHTR7
SCHEMBL7928653 0.83 RAB9A (0.49) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7924816 0.81 RAB9A (0.44) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7924688 0.81 NPC1 (0.41) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7919142 0.81 RAB9A (0.44) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7928532 0.80 RAB9A (0.43) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7919474 0.80 RAB9A (0.46) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7928442 0.79 NPC1 (0.42) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7925774 0.78 NPC1 (0.39) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7927572 0.77 MAPT (0.40) RAB9ANPC1HTR2BHTR7PNMT

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