Phosphoric Acid

Phosphoric Acid

SCHEMBL11089388

CCCCCCCCCCCCCCCCCCS(=O)(=O)CC(C)CO.O=P(O)(O)O

nearest known ligand 0.42

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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 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.42
CA2 P00918 2/20 0.42
FAAH O00519 4/20 0.39
CES2 O00748 2/20 0.39
SMPD1 P17405 3/20 0.39
FDPS P14324 3/20 0.38
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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 SCHEMBL11090703 1.00 CES1 (0.42) CES1CA2FAAHCES2SMPD1
Phosphoric Acid SCHEMBL11077164 0.83 CA2 (0.42) CES1CA2FAAHCES2SMPD1
Phosphoric Acid SCHEMBL11083662 0.82 CES1 (0.41) CES1CA2FAAHCES2SMPD1
SCHEMBL8976731 0.82 CA2 (0.54) CES1CA2FAAHCES2
SCHEMBL11090707 0.80 LPAR5 (0.47) SMPD1LPAR3LPAR2
SCHEMBL11089390 0.80 LPAR5 (0.47) SMPD1LPAR3LPAR2
Phosphoric Acid SCHEMBL11090222 0.80 ENPP2 (0.40) CES1CA2FAAHCES2SMPD1
Phosphoric Acid SCHEMBL11083453 0.77 CA2 (0.48) CES1CA2FAAHCES2LPAR3
Phosphoric Acid SCHEMBL11091546 0.77 CA2 (0.48) CES1CA2FAAHCES2LPAR3
Phosphoric Acid SCHEMBL11089007 0.77 LMNA (0.52) CES1CA2FAAHCES2LPAR3

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-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed