SCHEMBL6658671

SCHEMBL6658671

CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)cc(C3=CC([Si](C)(C)C)=CC3)c1C2C(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL6656100 0.81 CYP19A1 (0.32) CYP19A1
Hydrochloric Acid SCHEMBL6661681 0.78 CYP19A1 (0.31) CYP19A1
SCHEMBL6925827 0.77 CYP19A1 (0.31) CYP19A1
SCHEMBL2873175 0.76 NPC1 (0.46) CYP19A1NPC1ALDH1A1PLA2G1BNFKB1
Hydrochloric Acid SCHEMBL6662492 0.75
SCHEMBL6920791 0.75
SCHEMBL7520811 0.74 NPC1 (0.30) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2870244 0.73 NPC1 (0.32) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL2868966 0.70 MEN1 (0.33)
SCHEMBL5008828 0.70 CYP19A1 (0.36) CYP19A1NPC1ALDH1A1PLA2G1BNFKB1

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
EP-1169356-B1 POLYOLEFIN PRODUCTION ATOFINA RES (BE) 2004-07-14 EP disclosed
US-6515086-B1 A process for preparing polyolefins having a monomer length of up to C10, which comprises first contacting: (1) a metallocene catalyst component for the preparation of a polyolefin which comprises an isotactic polyolefin or FINA RESEARCH, S.A. (BE) 2003-02-04 US disclosed