Indolylpropionic Acid

Indolylpropionic Acid

SCHEMBL15880225

O=C(O)CCc1c[nH]c2ccccc12.O=S(=O)(O)CCCCS(=O)(=O)O

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
PDPK1 O15530 1/20 0.53
HPGD P15428 3/20 0.51
CYP2C19 P33261 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CDK4 P11802 1/20 0.51
RECQL P46063 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MC5R P33032 1/20 0.49
FAAH O00519 1/20 0.49

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
SCHEMBL3867784 0.88 SLC6A4 (0.54) MAPTALDH1A1CYP2C19KMT2AMEN1
SCHEMBL3867782 0.88 SLC6A4 (0.54) MAPTALDH1A1CYP2C19KMT2AMEN1
Indolylpropionic Acid SCHEMBL195405 0.87 MAPT (0.68) MAPTALDH1A1GAAPDPK1HPGD
Indolylpropionic Acid SCHEMBL29521227 0.87 MAPT (0.68) MAPTALDH1A1GAAPDPK1HPGD
Indolylpropionic Acid SCHEMBL29374161 0.87 MAPT (0.68) MAPTALDH1A1GAAPDPK1HPGD
Indolylpropionic Acid SCHEMBL29272702 0.86 MAPT (0.66) MAPTALDH1A1GAAPDPK1HPGD
Indolylpropionic Acid SCHEMBL2115660 0.86 MAPT (0.66) MAPTALDH1A1GAAPDPK1HPGD
SCHEMBL30952641 0.83 HTR2A (0.57) MAPTALDH1A1GAAHPGDCYP2C19
Indolylpropionic Acid SCHEMBL195854 0.82 MAPT (0.61) MAPTALDH1A1GAAPDPK1HPGD
SCHEMBL35884 0.82 MEN1 (0.68) MAPTALDH1A1GAAPDPK1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2945959-A1 STABLE INDOLE-3-PROPIONATE SALTS OF S-ADENOSYL-L-METHIONINE Hebert Sam-E LLC (US) 2015-11-25 EP disclosed
WO-2014113609-A1 STABLE INDOLE-3-PROPIONATE SALTS OF S-ADENOSYL-L-METHIONINE HEBERT SAM-E LLC (US) 2014-07-24 WO disclosed