Phosphonic Acid

Phosphonic Acid

SCHEMBL455332

CC(C)(C)c1ccc(-c2c3c(c(-c4ccc(C(C)(C)C)cc4C(C)(C)C)c(-c4ccc(C(C)(C)C)cc4C(C)(C)C)c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)-c2ccccc2-3)c(C(C)(C)C)c1.O=[PH](O)O.O=[PH](O)O

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.49
CASP3 P42574 2/20 0.49
RAB9A P51151 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
PLA2G1B P04054 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
PTPN5 P54829 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1H3 Q13133 1/20 0.35
ACLY P53396 1/20 0.35

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
Phosphonic Acid SCHEMBL9417604 0.95 ALDH1A1 (0.45) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL31658325 0.91 NPC1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL455334 0.91 NPC1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
Phosphonic Acid SCHEMBL2197000 0.90 ALDH1A1 (0.51) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL228138 0.90 ALDH1A1 (0.53) ALDH1A1NPC1CASP3RAB9ASENP8
Phosphonic Acid SCHEMBL2197002 0.84 NPC1 (0.41) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL30285371 0.83 ALDH1A1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL12803214 0.83 ALDH1A1 (0.44) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL1903605 0.82 NPC1 (0.46) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL1902888 0.81 ALDH1A1 (0.49) ALDH1A1NPC1CASP3RAB9ASENP8

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
US-20120065306-A1 LONG-FIBER REINFORCED RESIN COMPOSITION AND MOLDED OBJECT THEREOF PRIME POLYMER CO., LTD. (JP) 2012-03-15 US disclosed
US-20050106348-A1 Wire-protective tube YAZAKI CORPORATION 2005-05-19 US disclosed
US-6852921-B1 Wire-protective tube YAZAKI CORPORATION (JP) 2005-02-08 US disclosed
US-5342869-A Monophosphonate, diphosphonate, phosphonate-phosphonite stabilizers against weathering SANDOZ LTD. (CH) 1994-08-30 US disclosed