SCHEMBL8160974

SCHEMBL8160974

C=[Ti](C=O)(C=O)(c1cccc2c1Cc1ccccc1-2)C1C=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL8155483 0.83 NPC1 (0.33) PNMTNPC1RAB9A
SCHEMBL7934512 0.82 PNMT (0.37) PNMTNPC1RAB9A
SCHEMBL7109970 0.82 PNMT (0.34) PNMTNPC1RAB9A
SCHEMBL8155527 0.81 NPC1 (0.32) PNMTNPC1RAB9A
SCHEMBL7933584 0.79 PNMT (0.34) PNMT
SCHEMBL7924372 0.78 PNMT (0.35) PNMTNPC1RAB9A
SCHEMBL7109339 0.78 PNMT (0.37) PNMTNPC1RAB9A
SCHEMBL715120 0.77 PNMT (0.32) PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL396461 0.77 PNMT (0.36) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8373282 0.76 PNMT (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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