SCHEMBL9778045

SCHEMBL9778045

COC(=O)Cc1cccc(C(CN2C(=O)c3ccccc3C2=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ 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
SCHEMBL9778019 0.87 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL9778058 0.78 ALDH1A1 (0.43) ALDH1A1MAPTTNFPDE4APDE4B
SCHEMBL10593868 0.76 CA12 (0.44) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL9777967 0.76 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL8186958 0.72 SLC7A5 (0.56) SLC7A5KMT2AMEN1ALDH1A1GAA
SCHEMBL13140588 0.72 MAPT (0.49) SLC7A5KMT2AMEN1ALDH1A1GAA
SCHEMBL10591514 0.72 MAPK1 (0.47) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL3937986 0.71 SLC7A5 (0.55) SLC7A5KMT2AMEN1ALDH1A1GAA
SCHEMBL10594053 0.70 CASP3 (0.43) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL1990343 0.70 SLC7A5 (0.54) SLC7A5KMT2AMEN1ALDH1A1GAA

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
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
Send feedback