SCHEMBL7924510

SCHEMBL7924510

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
MAOA P21397 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP3K9 P80192 1/20 0.31
MAP3K11 Q16584 1/20 0.31
CA1 P00915 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
SCHEMBL7924750 0.86 NPC1 (0.34) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8160611 0.80 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7919492 0.80 NPC1 (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7930632 0.80 NPC1 (0.40) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7919142 0.78 RAB9A (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7928653 0.77 RAB9A (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7924816 0.75 RAB9A (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7924688 0.75 NPC1 (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7754800 0.74 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7919474 0.74 RAB9A (0.46) PNMTNPC1RAB9AHTR7HTR2B

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