SCHEMBL9417593

SCHEMBL9417593

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTPN5 P54829 2/20 0.38
NR1H3 Q13133 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL1903605 0.83 NPC1 (0.46) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL1902888 0.80 ALDH1A1 (0.49) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Phosphoric Acid SCHEMBL8431601 0.79 PTPN5 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Phosphoric Acid SCHEMBL8431599 0.79 PTPN5 (0.41) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL6064231 0.78 ALDH1A1 (0.40) NPC1ALDH1A1PLA2G1BNFKB1CASP3
Phosphoric Acid SCHEMBL29128797 0.78 NPC1 (0.45) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL228138 0.78 ALDH1A1 (0.53) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL5080714 0.78 ALDH1A1 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL28326671 0.78 ALDH1A1 (0.57) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL30932116 0.77 ALDH1A1 (0.44) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5342869-A Monophosphonate, diphosphonate, phosphonate-phosphonite stabilizers against weathering SANDOZ LTD. (CH) 1994-08-30 US disclosed