SCHEMBL23097226

SCHEMBL23097226

CC(=O)NC(Cc1c[nH]c2cc(OCc3ccccc3)ccc12)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.73
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
HSP90AA1 P07900 1/20 0.58
HSP90AB1 P08238 1/20 0.58
LTA4H P09960 1/20 0.58
PLA2G2A P14555 1/20 0.58
P2RY14 Q15391 1/20 0.56
TACR1 P25103 3/20 0.56
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
SCN9A Q15858 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
MDH2 P40926 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX15 P16050 1/20 0.53
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
MMP14 P50281 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
SCHEMBL29400386 1.00 PPARG (0.73) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL22892483 1.00 PPARG (0.73) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL28715267 1.00 PPARG (0.73) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL11682927 0.92 MEN1 (0.80) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL27656946 0.91 PPARG (0.72) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL27656943 0.91 PPARG (0.72) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL27656942 0.91 PPARG (0.75) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL27656944 0.91 PPARG (0.75) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL22091569 0.89 PPARG (0.72) PPARGKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL22091570 0.89 PPARG (0.72) PPARGKMT2AMEN1HSP90AA1HSP90AB1

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
CN-114080395-A Synthesis method of alpha-amanitine and derivatives thereof 纯生物有机有限公司 2022-02-22 CN disclosed
EP-3792250-A1 SYNTHESIS OF ALPHA-AMANITIN AND ITS DERIVATIVES Pure Bioorganics SIA (LV) 2021-03-17 EP disclosed
WO-2021004973-A1 SYNTHESIS OF A-AMANITIN AND ITS DERIVATIVES PURE BIOORGANICS SIA (LV) 2021-01-14 WO disclosed