SCHEMBL30508570

SCHEMBL30508570

O=C(O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@+]1[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.56
ABL1 P00519 2/20 0.56
IDE P14735 2/20 0.56
RIN1 Q13671 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HLCS P50747 6/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
FOLH1 Q04609 2/20 0.33

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
SCHEMBL10171650 1.00 TDP1 (0.56) TDP1ABL1IDERIN1MEN1
SCHEMBL29598 1.00 TDP1 (0.56) TDP1ABL1IDERIN1MEN1
SCHEMBL17752940 1.00 TDP1 (0.56) TDP1ABL1IDERIN1MEN1
SCHEMBL14562968 1.00 TDP1 (0.56) TDP1ABL1IDERIN1MEN1
SCHEMBL18924547 1.00 TDP1 (0.56) TDP1ABL1IDERIN1MEN1
SCHEMBL17761083 0.90 TDP1 (0.45) TDP1ABL1IDERIN1MEN1
SCHEMBL4959481 0.88 TDP1 (0.43) TDP1ABL1IDERIN1MEN1
SCHEMBL21516801 0.86 TDP1 (0.58) TDP1ABL1IDERIN1MEN1
SCHEMBL21488893 0.86 TDP1 (0.58) TDP1ABL1IDERIN1MEN1
SCHEMBL21488894 0.86 TDP1 (0.58) TDP1ABL1IDERIN1MEN1

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-2552202-B1 METHODS AND COMPOSITIONS FOR WEIGHT LOSS SDG INC (US) 2023-07-26 EP claimed
EP-4484422-A1 METHOD OF PREPARATION OF CHIMERIC HEMICUCURBIT[N]URILS, DERIVATIVES, AND USES THEREOF Tallinn University of Technology (EE) 2025-01-01 EP disclosed