SCHEMBL8154235

SCHEMBL8154235

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR7 P34969 2/20 0.40
HTR2B P41595 2/20 0.40
MAOA P21397 2/20 0.38
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
MAP3K9 P80192 1/20 0.34
MAP3K11 Q16584 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 2/20 0.33
MIF P14174 1/20 0.33
MAOB P27338 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL8160722 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1985362 0.77 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL524602 0.74 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.74 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29882364 0.73 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL68230 0.73 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2877998 0.72 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4080810 0.72 NPC1 (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1825819 0.72 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL22263591 0.70 PNMT (0.57) 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
US-6100352-A USING A CATALYST CONSISTING OF A TRANSITION METAL COMPOUND, A COMPOUND CAPABLE OF FORMING AN IONIC COMPOUND BY REACTING WITH THE TRANSITION METAL COMPOUND OR AN OXYGEN-CONTAINING COMPOUND SUCH AS ALUMINOXANE IDEMITSU KOSAN CO., LTD. (JP) 2000-08-08 US disclosed
EP-0810238-B1 A process for producing polymer IDEMITSU KOSAN CO (JP) 2000-02-02 EP disclosed
EP-0810238-A1 A process for producing polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-12-03 EP disclosed