SCHEMBL7927137

SCHEMBL7927137

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
PNMT P11086 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRA2A P08913 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL7927106 0.90 NPC1 (0.41) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7919474 0.89 RAB9A (0.46) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7928345 0.86 NPC1 (0.38) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7925868 0.85 NPC1 (0.37) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7919135 0.85 NPC1 (0.39) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7923902 0.85 NPC1 (0.37) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7925530 0.84 NPC1 (0.36) NPC1RAB9AHTR2BHTR7
SCHEMBL7919196 0.84 NPC1 (0.36) NPC1RAB9AHTR2BHTR7PNMT
SCHEMBL7919285 0.82 NPC1 (0.35) NPC1RAB9AHTR2BHTR7
SCHEMBL7930755 0.82 MAPT (0.35) NPC1RAB9AHTR2BHTR7

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
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed