SCHEMBL4461453

SCHEMBL4461453

CC1C=C(C(C)(C)C)C=C1C(C)(C)C1c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc21

nearest known ligand 0.31

Predicted protein targets (top 15)

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
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5009401 0.89 NPC1 (0.31) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2272681 0.83 NPC1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL3670574 0.73 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL2841139 0.72
SCHEMBL2272266 0.72 TNKS (0.31)
SCHEMBL2276784 0.72 NPC1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Hydrochloric Acid SCHEMBL10320822 0.71
Hydrochloric Acid SCHEMBL10321056 0.70
Hydrochloric Acid SCHEMBL10318280 0.70
SCHEMBL4461450 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619030-B2 Automobile part of polypropylene resin composition MITSUI CHEMICALS, INC. (JP) 2009-11-17 US disclosed
US-7449533-B2 Metallocene compound, process for preparing metallocene compound, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2008-11-11 US disclosed
EP-1138687-B1 Metallocenes, their preparation, olefin polymerisation catalysts and a process for producing polyolefins MITSUI CHEMICALS INC (JP) 2007-04-11 EP disclosed
US-20060194914-A1 Automobile part of polypropylene resin composition MITSUI CHEMICALS, INC. (JP) 2006-08-31 US disclosed
US-7081493-B2 Automotive part made of polypropylene resin composition MITSUI CHEMICALS, INC. (JP) 2006-07-25 US disclosed
US-20050228155-A1 Metallocene compound, process for preparing metallocene compund, olefin polymerization catalyst, process for preparing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-10-13 US disclosed
US-6939928-B1 Metallocene compound, process for producing metallocene compound, olefin polymerization catalyst, process for producing polyolefin, and polyolefin MITSUI CHEMICALS, INC. (JP) 2005-09-06 US disclosed
US-20030187121-A1 Automotive part made of polypropylene resin composition MITSUI CHEMICALS, INC. (JP) 2003-10-02 US disclosed
EP-1138687-A1 METALLOCENE COMPOUND, PROCESS FOR PRODUCING METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING POLYOLEFIN, AND POLYOLEFIN Mitsui Chemicals, Inc. (JP) 2001-10-04 EP disclosed