Phthalic Acid

Phthalic Acid

SCHEMBL9568837

C=CC=C.C=CC=C.O=C(O)CCCCC(=O)O.O=C(O)c1ccccc1C(=O)O

nearest known ligand 0.54

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Known targets — ChEMBL curated mechanism

SLC18A2SLC6A2SLC6A3

The experimentally established mechanism targets of Phthalic 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
SLC6A3 known ✓ Q01959 1/20 0.47
ALDH1A1 P00352 4/20 0.54
ALOX15 P16050 1/20 0.54
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MAPT P10636 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47

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
Phthalic Acid SCHEMBL10715717 0.91 ALDH1A1 (0.52) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL30480760 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL1906918 0.90 ALDH1A1 (0.67) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL10624073 0.89 ALDH1A1 (0.50) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL11709147 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Sebacic Acid SCHEMBL8362100 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL28433236 0.88 ALDH1A1 (0.64) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL2316524 0.85 ALDH1A1 (0.74) ALDH1A1ALOX15HDAC8MAPTHPGD
Phthalic Acid SCHEMBL28035147 0.85 MAPT (0.55) ALDH1A1ALOX15HDAC3HDAC4HDAC1
Phthalic Acid SCHEMBL28186879 0.85 ALDH1A1 (0.54) ALDH1A1ALOX15HDAC3HDAC4HDAC1

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
EP-0559248-A1 An imaging element comprising a photopolymerizable composition as photosensitive element AGFA-GEVAERT N.V. (BE) 1993-09-08 EP disclosed