SCHEMBL5012490

SCHEMBL5012490

CCC(C)(C)C1=CCC(C(C)(C)C2c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)=C1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL5012484 0.90 CNR2 (0.31)
SCHEMBL5012482 0.90 CYP1A2 (0.30) CYP1A2CYP2C19
SCHEMBL5009438 0.88 NPC1 (0.31) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL5011327 0.87
SCHEMBL5011254 0.82 CYP1A2 (0.31) CYP1A2CYP2C19
SCHEMBL5011501 0.78 NPC1 (0.31) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL5011322 0.77 CYP19A1 (0.32)
SCHEMBL6471608 0.73
SCHEMBL5009278 0.72 CYP19A1 (0.35) NPC1CASP3RAB9ASENP8SENP7
Hydrochloric Acid SCHEMBL5012581 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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