Phthalic Acid

Phthalic Acid

SCHEMBL28034650

CCCCCCCCc1cc(-c2cc(CCCCCCCC)c3ccccc3n2)nc2ccccc12.CCCCCCCCc1cc(-c2cc(CCCCCCCC)c3ccccc3n2)nc2ccccc12.O=C(O)c1ccccc1C(=O)O.[NaH].[NaH]

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.55
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PPARG P37231 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PDE10A Q9Y233 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TLR8 Q9NR97 1/20 0.46
MEN1 O00255 1/20 0.45

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 SCHEMBL28229283 0.99 DHODH (0.56) DHODHKDM4EALDH1A1HPGDGLA
SCHEMBL11038698 0.82 KDM4E (0.53) DHODHKDM4EALDH1A1HPGDGLA
SCHEMBL20414372 0.81 DHODH (0.52) DHODHKDM4EALDH1A1HPGDGLA
SCHEMBL28623461 0.81 ALOX15 (0.54) DHODHKDM4EALDH1A1HPGDGLA
SCHEMBL30604082 0.80 KDM4E (0.79) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL30604207 0.80 KDM4E (0.79) DHODHKDM4EALDH1A1HPGDMAPT
SCHEMBL9988793 0.79 DHODH (0.53) DHODHKDM4EALDH1A1HPGDGLA
SCHEMBL28207553 0.77 BID (0.58) ALDH1A1PPARGLMNA
SCHEMBL28152606 0.77 BID (0.58) ALDH1A1PPARGLMNA
SCHEMBL472714 0.76 CYP3A4 (0.59) KDM4EALDH1A1HPGDGLAGAA

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
CN-104897656-A Method for measuring contents of proteins in tobacco CHINA TOBACCO CHUANYU IND CO 2015-09-09 CN disclosed