P-Anisic Acid

P-Anisic Acid

SCHEMBL7798469

CC(=O)Nc1ccc(C=O)cc1.COc1ccc(C(=O)O)cc1.NCCCCC(N)C(=O)O.NCCc1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of P-Anisic 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
LTA4H P09960 5/20 0.46
DPP8 Q6V1X1 2/20 0.42
MAPT P10636 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
LNPEP Q9UIQ6 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RECQL P46063 1/20 0.40
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.38

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
P-Anisic Acid SCHEMBL7798467 1.00 LTA4H (0.46) LTA4HDPP8MAPTRAB9ANPC1
P-Anisic Acid SCHEMBL7802573 0.97 LTA4H (0.44) LTA4HDPP8MAPTRAB9ANPC1
P-Anisic Acid SCHEMBL7802570 0.97 LTA4H (0.44) LTA4HDPP8MAPTRAB9ANPC1
P-Anisic Acid SCHEMBL7792294 0.92 MAPT (0.45) LTA4HDPP8MAPTRAB9ANPC1
Lysine SCHEMBL7798157 0.92 LTA4H (0.44) LTA4HDPP8MAPTRAB9ANPC1
Lysine SCHEMBL7801526 0.91 LTA4H (0.45) LTA4HDPP8MAPTRAB9ADPP4
Lysine SCHEMBL7801523 0.91 LTA4H (0.45) LTA4HDPP8MAPTRAB9ADPP4
P-Anisic Acid SCHEMBL7801551 0.90 LTA4H (0.49) LTA4HMAPTRAB9AALDH1A1TDP1
P-Anisic Acid SCHEMBL7801554 0.90 LTA4H (0.49) LTA4HMAPTRAB9AALDH1A1TDP1
Lysine SCHEMBL7800126 0.90 LTA4H (0.41) LTA4HMAPTRAB9ANPC1LNPEP

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
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed