SCHEMBL9540128

SCHEMBL9540128

CNC(=O)C(Oc1cccc2ccccc12)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
PGR P06401 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
EPHX1 P07099 2/20 0.45
METAP2 P50579 5/20 0.45
METAP1 P53582 2/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL16541183 0.84 EPHX1 (0.43) ALDH1A1KMT2AMEN1EPHX1METAP2
SCHEMBL10177149 0.84 MEN1 (0.43) ALDH1A1KMT2AMEN1EPHX1METAP2
SCHEMBL2610107 0.77 MEN1 (0.42) ALDH1A1KMT2AMEN1RAB9AL3MBTL1
SCHEMBL381154 0.77 NFKB1 (0.43) GAAKMT2AMEN1RAB9AL3MBTL1
SCHEMBL380312 0.77 MEN1 (0.51) ALDH1A1PGRGAAPTGS1MAPK1
Oxalic Acid SCHEMBL3729 0.75 KMT2A (0.54) GAAKMT2AMEN1SLC6A2SLC6A4
SCHEMBL380244 0.74 L3MBTL1 (0.46) ALDH1A1PGRGAAPTGS1MAPK1
SCHEMBL3730 0.74 MEN1 (0.44) ALDH1A1PGRGAAPTGS1MAPK1
Oxalic Acid SCHEMBL27413669 0.70 KMT2A (0.49) ALDH1A1HSD17B10KMT2AMEN1EPHX1
Oxalic Acid SCHEMBL4399 0.70 KDM4E (0.49) ALDH1A1KMT2AMEN1METAP2METAP1

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
WO-1993002707-A1 NEW ANTI-DIARRHEIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-02-18 WO disclosed