SCHEMBL6986747

SCHEMBL6986747

C[C@H](CC(=O)O)c1c[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
HTR2C P28335 1/20 0.62
HTR2B P41595 1/20 0.62
GPR84 Q9NQS5 3/20 0.57
MGAM O43451 9/20 0.56
GAA P10253 9/20 0.56
SI P14410 9/20 0.56
MGAM2 Q2M2H8 9/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.56
PKM P14618 1/20 0.56
FFAR1 O14842 2/20 0.54
KDM4E B2RXH2 1/20 0.52
APAF1 O14727 1/20 0.52
POLB P06746 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NOD2 Q9HC29 1/20 0.49
HDAC3 O15379 1/20 0.48

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
SCHEMBL29611986 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL3656418 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL6982959 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL27975035 0.98 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL29272526 0.98 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL29272546 0.98 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84MGAM
Ammonia Solution, Strong SCHEMBL11124638 0.98 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL29272698 0.98 HTR2A (0.60) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL26890967 0.88 HTR2A (0.62) HTR2AHTR2CHTR2BGPR84MGAM
SCHEMBL15747698 0.87 MGAM (0.71) HTR2AHTR2CHTR2BGPR84MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002078440-A1 TECHNIQUE FOR PREVENTING AND TREATING BACTERIAL WILT BY FOLIAR APPLICATION OF 3-(3-INDOLYL) BUTANOIC ACID PLATTE CHEMICAL COMPANY (US) 2002-10-10 WO claimed
US-6399646-B1 PLANTS PLATTE CHEMICAL COMPANY 2002-06-04 US claimed
JP-11228310-A None JP disclosed
EP-0935918-B1 Antibacterial compositions with activity against Ralstonia solanacearum KAGOME KK (JP) 2003-01-02 EP disclosed
US-6015830-A 3-(3-INDOLYL)-BUTANOIC ACID OR SALT KAGOME KABUSHIKI KAISHA (JP) 2000-01-18 US disclosed
JP-H11228310-A ANTAGONISTIC AGENT AGAINST BACTERIAL WILT-CAUSING MICROORGANISM KAGOME CO LTD 1999-08-24 JP disclosed
EP-0935918-A1 Antibacterial compositions with activity against Ralstonia solanacearum KAGOME KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed