SCHEMBL3683305

SCHEMBL3683305

CC1=CC([Zr](Cl)(=C(C)C)c2cccc3c2Cc2ccccc2-3)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PNMT P11086 1/20 0.33
PGR P06401 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
SCHEMBL7272264 0.85 PNMT (0.35) NPC1RAB9APNMTPGRHTR7
SCHEMBL851485 0.70 PNMT (0.35) NPC1RAB9APNMTHTR7HTR2B
SCHEMBL618217 0.69 PNMT (0.49) NPC1RAB9APNMTPGRHTR7
SCHEMBL3384917 0.69 PNMT (0.49) NPC1RAB9APNMTPGRHTR7
SCHEMBL7265200 0.68 PNMT (0.35) NPC1RAB9APNMTPGR
Hydrochloric Acid SCHEMBL3683303 0.68 NPC1 (0.42) NPC1RAB9APNMTPGRHTR7
SCHEMBL7085408 0.67 GPR3 (0.33)
SCHEMBL673541 0.66 PNMT (0.35) NPC1RAB9APNMTHTR7HTR2B
Hydrochloric Acid SCHEMBL3683308 0.66 NPC1 (0.38) NPC1RAB9APNMTPGRHTR7
SCHEMBL7602119 0.66 PNMT (0.49) NPC1RAB9APNMTPGRHTR7

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-7687566-B2 Propylene resin composition and molding thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2010-03-30 US disclosed
US-20070238828-A1 Propylene Resin Composition and Molding Thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2007-10-11 US disclosed
EP-1726619-A1 PROPYLENE RESIN COMPOSITION AND MOLDING THEREOF Mitsubishi Chemical Corporation (JP) 2006-11-29 EP disclosed