Phosphoric Acid

Phosphoric Acid

SCHEMBL7250820

CC(C)(C)c1ccc(-c2c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c(-c3ccc(C(C)(C)C)cc3C(C)(C)C)c3c(c2-c2ccc(C(C)(C)C)cc2C(C)(C)C)=c2ccccc2=3)c(C(C)(C)C)c1.O=P(O)(O)O

nearest known ligand 0.41

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Phosphoric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTPN5 P54829 1/20 0.38
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX5 P09917 2/20 0.33
PTGS2 P35354 2/20 0.33
NR1I2 O75469 1/20 0.33

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
Phosphoric Acid SCHEMBL9195605 1.00 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL74290 0.91 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL463259 0.90 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL16440136 0.89 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1CASP3SENP8
Hypophosphorous Acid SCHEMBL1286596 0.89 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1CASP3SENP8
SCHEMBL253424 0.88 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1CASP3SENP8
Phosphoric Acid SCHEMBL28490434 0.83 NPC1 (0.42) ALDH1A1RAB9ANPC1CASP3SENP8
Phosphoric Acid SCHEMBL18138471 0.80 PGK1 (0.38) PTPN5MEN1GAAKMT2ANPSR1
Phosphoric Acid SCHEMBL8431601 0.80 PTPN5 (0.41) ALDH1A1RAB9ANPC1CASP3SENP8
Phosphoric Acid SCHEMBL8431599 0.80 PTPN5 (0.41) ALDH1A1RAB9ANPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107075262-B Composite materials with enhanced electrical conductivity and methods of making the same LG化学株式会社 2020-05-12 CN disclosed
US-6629769-B2 Article comprising molded polyester resin composition article with light-reflecting metal layer having, after being molded, specified average surface roughness and deflection temperature under load TOYO BOSEKI KABUSHIKI KAISHA (JP) 2003-10-07 US disclosed
US-20020075686-A1 Polyester resin composition and light-reflecting molded article thereof TOYO BOSEKI KABUSIKI KAISYA (JP) 2002-06-20 US disclosed