SCHEMBL7196024

SCHEMBL7196024

CC1=C([Ti](C2c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)=[Si](C)C)C(C)C=C1

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G1B P04054 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31

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 SCHEMBL7642472 0.99 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7639549 0.78
Hydrochloric Acid SCHEMBL7941006 0.73 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL7516605 0.73
Hydrochloric Acid SCHEMBL7639308 0.72
SCHEMBL8596606 0.70 NPC1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL7635739 0.69 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL4461046 0.69 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL4470145 0.69 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL4469251 0.69 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030211933-A1 Aluminum compound, method for producing the same, catalyst for producing olefinic polymers and method for producing olefinic polymers IDEMITSU KOSAN CO., LTD. (JP) 2003-11-13 US disclosed
EP-0984016-A1 ALUMINUM COMPOUND AND PROCESS FOR PRODUCING THE SAME, CATALYST FOR OLEFIN POLYMER PRODUCTION, AND PROCESS FOR PRODUCING OLEFIN POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-03-08 EP disclosed