SCHEMBL4577232

SCHEMBL4577232

CCC1=C([Zr](=C(C)c2ccc(C)cc2)C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)C(C)C=C1C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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 SCHEMBL3015923 0.76 NPC1 (0.30) NPC1MAPTRAB9A
SCHEMBL4576190 0.75
SCHEMBL4577228 0.73
Hydrochloric Acid SCHEMBL3010102 0.72 NPC1 (0.30) NPC1MAPTRAB9A
SCHEMBL4577673 0.72
SCHEMBL4576974 0.71
Hydrochloric Acid SCHEMBL3000792 0.70 NPC1 (0.30) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL3004465 0.69
SCHEMBL15184705 0.69 NPC1 (0.32) NPC1MAPTRAB9A
SCHEMBL3270586 0.68 NPC1 (0.31) NPC1MAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900744-A1 TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER Mitsui Chemicals, Inc. (JP) 2008-03-19 EP disclosed