Phthalic Acid

Phthalic Acid

SCHEMBL8428640

CC[N+](C)(C)CC.O=C(O)c1ccccc1C(=O)O

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
ALOX15 P16050 1/20 0.61
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.48
AKR1C3 P42330 2/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HMGB1 P09429 1/20 0.46
HPGD P15428 1/20 0.46
CA6 P23280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CA14 Q9ULX7 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46

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 SCHEMBL6320549 0.89 ALDH1A1 (0.64) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL2453264 0.87 ALDH1A1 (0.61) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL2452639 0.84 ALDH1A1 (0.64) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL27458631 0.84 ALDH1A1 (0.78) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL107835 0.84 ALDH1A1 (0.78) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL27470430 0.83 ALDH1A1 (0.88) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL9132518 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL1482851 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL10779822 0.81 ALDH1A1 (0.74) ALDH1A1ALOX15TDP1POLBAKR1C3
Phthalic Acid SCHEMBL11118156 0.81 ALDH1A1 (0.93) ALDH1A1ALOX15POLBAKR1C3CA12

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
JP-11186109-A None JP disclosed