SCHEMBL9523587

SCHEMBL9523587

[CH2]C(CCC(=O)OC)C(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SLC1A1 P43005 1/20 0.40
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL28568682 0.79 TSHR (0.50) TSHRKMT2AMEN1SLC1A1LMNA
SCHEMBL9191996 0.79 TSHR (0.50) TSHRKMT2AMEN1SLC1A1LMNA
SCHEMBL12534381 0.76 SLC1A1 (0.51) TSHRKMT2AMEN1SLC1A1LMNA
SCHEMBL7366500 0.76 SLC1A1 (0.51) TSHRKMT2AMEN1SLC1A1LMNA
SCHEMBL6825006 0.74 L3MBTL1 (0.46) TSHRKMT2AMEN1SLC1A1LMNA
SCHEMBL6983467 0.74
SCHEMBL9405314 0.74
SCHEMBL28823934 0.72
SCHEMBL5063145 0.72 TSHR (0.52) TSHRKMT2AMEN1SLC1A1LMNA
SCHEMBL9190278 0.69 SLC1A1 (0.53) TSHRKMT2AMEN1SLC1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP claimed