SCHEMBL2937285

SCHEMBL2937285

CC(C)(C)c1ccc(-c2c(-c3ccc(P(O)O)c(P(O)O)c3-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(P(O)O)c(P(O)O)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 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
SCHEMBL919405 0.84 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL12803214 0.82 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9301086 0.81 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL313521 0.78 ALDH1A1 (0.31) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6064231 0.78 ALDH1A1 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10784222 0.76
SCHEMBL28432207 0.75 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3031172 0.74 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL3473918 0.74 ALDH1A1 (0.36) ALDH1A1NPC1PLA2G1BNFKB1CASP3
SCHEMBL453512 0.74 ALDH1A1 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411086-B1 THERMOPLASTIC POLYMER COMPOSITION KURARAY CO (JP) 2010-09-15 EP disclosed
US-7138447-B2 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2006-11-21 US disclosed
US-20040176525-A1 Thermoplastic polymer composition KURARAY CO., LTD. (JP) 2004-09-09 US disclosed
EP-1411086-A1 THERMOPLASTIC POLYMER COMPOSITION Kuraray Co., Ltd. (JP) 2004-04-21 EP disclosed