SCHEMBL6064231

SCHEMBL6064231

CC(C)(C)c1ccc(-c2cc3c(c(P(O)O)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)-c2ccccc2-3)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
NFKB1 P19838 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
DNMT1 P26358 3/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL12803214 0.91 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1903605 0.88 NPC1 (0.46) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL453512 0.85 ALDH1A1 (0.39) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL228138 0.83 ALDH1A1 (0.53) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL9301086 0.83 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL30285371 0.82 ALDH1A1 (0.44) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL3473918 0.82 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL1902888 0.82 ALDH1A1 (0.49) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL10728586 0.81 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL10728572 0.81 NPC1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995200-B2 Color improving stabilizing compositions comprising leucine CLARIANT FINANCE (BVI) LIMITED (VG) 2006-02-07 US disclosed
EP-1373392-A1 COLOR IMPROVING STABILIZING COMPOSITIONS COMPRISING LEUCINE Clariant Finance (BVI) Limited (VG) 2004-01-02 EP disclosed
WO-2002066551-A1 COLOR IMPROVING STABILIZING COMPOSITIONS COMPRISING LEUCINE CLARIANT INTERNATIONAL LTD (CH) 2002-08-29 WO disclosed
EP-0907676-B1 STABILIZER COMPOSITIONS CLARIANT INT LTD (CH) 2001-05-16 EP disclosed
EP-0907676-A1 STABILIZER COMPOSITIONS CLARIANT INTERNATIONAL LTD. (CH) 1999-04-14 EP disclosed
WO-1997049758-A1 STABILIZER COMPOSITIONS CLARIANT INTERNATIONAL LIMITED (CH) 1997-12-31 WO disclosed