SCHEMBL8897776

SCHEMBL8897776

CC(C)=[Zr](c1ccccc1)(c1ccccc1)c1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SRD5A2 P31213 2/20 0.33
PGR P06401 1/20 0.33
PNMT P11086 1/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31
SRD5A1 P18405 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
SCHEMBL1922809 0.85 NPC1 (0.37) NPC1RAB9ASRD5A2PGRPNMT
Hydrochloric Acid SCHEMBL6907081 0.81 PGR (0.33) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL8896051 0.81 NPC1 (0.33) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL6837572 0.80 PGR (0.35) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL8896107 0.80 SRD5A2 (0.35) NPC1RAB9ASRD5A2PGRPNMT
Hydrochloric Acid SCHEMBL618234 0.79 PGR (0.34) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL698266 0.77 NPC1 (0.39) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL28220071 0.77 PNMT (0.44) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL6437444 0.76 PNMT (0.37) NPC1RAB9ASRD5A2PGRPNMT
SCHEMBL27348144 0.75 PNMT (0.45) NPC1RAB9ASRD5A2PGRPNMT

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-0619326-B1 Olefin polymerization catalyst and olefin polymerisation process TOSOH CORP (JP) 1997-06-25 EP disclosed
EP-0619326-A1 Olefin polymerization catalyst and olefin polymerisation process TOSOH CORPORATION (JP) 1994-10-12 EP disclosed