SCHEMBL7925780

SCHEMBL7925780

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
PNMT P11086 1/20 0.31
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
SRD5A2 P31213 1/20 0.30
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
SCHEMBL7925609 0.90 NPC1 (0.37) RAB9ANPC1HTR2BHTR7
SCHEMBL7928734 0.89 NPC1 (0.36) RAB9ANPC1HTR2BHTR7
SCHEMBL7919108 0.89 NPC1 (0.36) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL8158143 0.89 NPC1 (0.36) RAB9ANPC1HTR2BHTR7SRD5A2
SCHEMBL7927841 0.88 RAB9A (0.35) RAB9ANPC1HTR2BHTR7KDM4E
SCHEMBL7930302 0.88 NPC1 (0.35) RAB9ANPC1HTR2BHTR7
SCHEMBL7925497 0.88 NPC1 (0.35) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7927604 0.87 RAB9A (0.48) RAB9ANPC1HTR2BHTR7PNMT
SCHEMBL7930965 0.86 MAPT (0.34) RAB9ANPC1HTR2BHTR7SLC6A4
SCHEMBL7925585 0.86 NPC1 (0.34) RAB9ANPC1HTR2BHTR7

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