SCHEMBL1825819

SCHEMBL1825819

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
MAPT P10636 2/20 0.32
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1985362 0.73 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8160722 0.73 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL252161 0.72 PNMT (0.62) PNMTADRA1DADRA1AADRA1BNPC1
SCHEMBL8154235 0.72 PNMT (0.45) PNMTADRA1DADRA1AADRA1BNPC1
SCHEMBL524602 0.71 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30103334 0.71 PNMT (0.63) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7029454 0.71 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1245608 0.69 PNMT (0.49) PNMTADRA1DADRA1AADRA1BNPC1
SCHEMBL2877998 0.69 PNMT (0.61) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4080810 0.69 NPC1 (0.50) PNMTADRA1DADRA1AADRA1BNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181356-B2 Hydrogenation catalyst composition and hydrogenation method thereof TSRC CORPORATION (TW) 2015-11-10 US claimed
EP-2316862-B1 Hydrogenation catalyst composition and hydrogenation method thereof TSRC CORP (TW) 2013-12-25 EP claimed
US-20110105694-A1 HYDROGENATION CATALYST COMPOSITION AND HYDROGENATION METHOD THEREOF TSRC CORPORATION (TW) 2011-05-05 US claimed
EP-2316862-A1 Hydrogenation catalyst composition and hydrogenation method thereof TSRC Corporation (TW) 2011-05-04 EP claimed
US-9181356-B2 Hydrogenation catalyst composition and hydrogenation method thereof TSRC CORPORATION (TW) 2015-11-10 US disclosed
EP-2316862-B1 Hydrogenation catalyst composition and hydrogenation method thereof TSRC CORP (TW) 2013-12-25 EP disclosed
US-20110105694-A1 HYDROGENATION CATALYST COMPOSITION AND HYDROGENATION METHOD THEREOF TSRC CORPORATION (TW) 2011-05-05 US disclosed
EP-2316862-A1 Hydrogenation catalyst composition and hydrogenation method thereof TSRC Corporation (TW) 2011-05-04 EP disclosed