Indole-3-Acetic Acid

Indole-3-Acetic Acid

SCHEMBL7048296

CCOC(=O)Cc1c[nH]c2ccccc12.O=C(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.89

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.89
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
ALDH1A1 P00352 4/20 0.70
LMNA P02545 1/20 0.70
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 1/20 0.60
HPGD P15428 1/20 0.57
SLC6A2 P23975 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
HRH3 Q9Y5N1 1/20 0.53
KLK6 Q92876 1/20 0.53

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
SCHEMBL361312 0.94 PKM (1.00) PKMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30419025 0.94 PKM (1.00) PKMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31613108 0.86 PKM (0.70) PKMMAPTSMN1; SMN2MEN1KMT2A
Indole-3-Acetic Acid SCHEMBL7887240 0.85 MEN1 (0.75) PKMMAPTSMN1; SMN2MEN1KMT2A
Indole-3-Acetic Acid SCHEMBL26344 0.85 MEN1 (0.75) PKMMAPTSMN1; SMN2MEN1KMT2A
Indole-3-Acetic Acid SCHEMBL29350750 0.85 MEN1 (0.75) PKMMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11186814 0.85 MAPT (0.78) PKMMAPTSMN1; SMN2MEN1KMT2A
Indole-3-Acetic Acid SCHEMBL468233 0.84 MEN1 (0.73) PKMMAPTSMN1; SMN2MEN1KMT2A
Indole-3-Acetic Acid SCHEMBL11125791 0.84 MEN1 (0.73) PKMMAPTSMN1; SMN2MEN1KMT2A
Indole-3-Acetic Acid SCHEMBL1375190 0.84 MEN1 (0.73) PKMMAPTSMN1; SMN2MEN1KMT2A

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-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 WO disclosed