SCHEMBL7927841

SCHEMBL7927841

C#CC(=O)O[Ti](C)(C)(=[SiH2])(OC(=O)C#C)(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7927136 0.88 RAB9A (0.41) RAB9ANPC1HTR7HTR2BKDM4E
SCHEMBL7925780 0.88 RAB9A (0.40) RAB9ANPC1HTR7HTR2BKDM4E
SCHEMBL7928734 0.86 NPC1 (0.36) RAB9ANPC1HTR7HTR2B
SCHEMBL7919108 0.85 NPC1 (0.36) RAB9ANPC1HTR7HTR2B
SCHEMBL8158143 0.85 NPC1 (0.36) RAB9ANPC1HTR7HTR2B
SCHEMBL7925497 0.84 NPC1 (0.35) RAB9ANPC1HTR7HTR2B
SCHEMBL7925609 0.84 NPC1 (0.37) RAB9ANPC1HTR7HTR2B
SCHEMBL7930302 0.84 NPC1 (0.35) RAB9ANPC1HTR7HTR2B
SCHEMBL7930965 0.82 MAPT (0.34) RAB9ANPC1HTR7HTR2B
SCHEMBL7925585 0.82 NPC1 (0.34) RAB9ANPC1HTR7HTR2B

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