SCHEMBL7928345

SCHEMBL7928345

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
PNMT P11086 1/20 0.31
SRD5A2 P31213 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
SCHEMBL7919285 0.90 NPC1 (0.35) NPC1RAB9AHTR7HTR2BSRD5A2
SCHEMBL7927106 0.89 NPC1 (0.41) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7924816 0.89 RAB9A (0.44) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7927137 0.86 NPC1 (0.39) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7925868 0.86 NPC1 (0.37) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7919135 0.86 NPC1 (0.39) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7923902 0.86 NPC1 (0.37) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7919196 0.85 NPC1 (0.36) NPC1RAB9AHTR7HTR2BPNMT
SCHEMBL7925530 0.85 NPC1 (0.36) NPC1RAB9AHTR7HTR2B
SCHEMBL7930755 0.83 MAPT (0.35) NPC1RAB9AHTR7HTR2BSRD5A2

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