SCHEMBL6522771

SCHEMBL6522771

CC(C)=[Zr+2]c1c(C2=CC=CC2)ccc2c1Cc1ccccc1-2.[H-].[H-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PNMT P11086 1/20 0.33
HTR2B P41595 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SRD5A2 P31213 1/20 0.32
PGR P06401 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTR7 P34969 1/20 0.30
DRD2 P14416 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
Hydrochloric Acid SCHEMBL617844 0.97 NPC1 (0.37) NPC1RAB9APNMTHTR2BCYP1A2
Fluoride Ion SCHEMBL3469916 0.97 NPC1 (0.37) NPC1RAB9APNMTHTR2BCYP1A2
Hydrochloric Acid SCHEMBL5086526 0.84 SRD5A2 (0.35) NPC1RAB9APNMTSRD5A2PGR
Hydrochloric Acid SCHEMBL9083565 0.82 PNMT (0.34) NPC1RAB9APNMTSRD5A2PGR
Hydrochloric Acid SCHEMBL8160701 0.80
Hydrochloric Acid SCHEMBL7766788 0.80 NPC1 (0.32) NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL618232 0.80 PNMT (0.33) NPC1RAB9APNMTPGRDRD2
Hydrochloric Acid SCHEMBL944866 0.80 PNMT (0.33) NPC1RAB9APNMTCYP1A2PGR
Hydrochloric Acid SCHEMBL3894866 0.80 PNMT (0.33) NPC1RAB9APNMTPGRDRD2
SCHEMBL28762096 0.78 PNMT (0.37) NPC1RAB9APNMTHTR2BCYP1A2

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-6956002-B2 Process for polymerization of olefins ASAHI KASEI CHEMICALS CORPORATION (JP) 2005-10-18 US disclosed
US-20040254314-A1 Process for polymerization of olefins ASAHI KASEI CHEMICALS CORPORATION (JP) 2004-12-16 US disclosed
EP-1449853-A1 PROCESS FOR POLYMERIZATION OF OLEFINS Asahi Kasei Kabushiki Kaisha (JP) 2004-08-25 EP disclosed