SCHEMBL8765347

SCHEMBL8765347

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
PGR P06401 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1820172 0.83 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL7918195 0.80 PNMT (0.33) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29700988 0.73 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL3383750 0.73 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5368401 0.73 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27348144 0.72 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL5606848 0.72 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28286932 0.71 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28220071 0.71 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL27425148 0.70 PNMT (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed