SCHEMBL7396304

SCHEMBL7396304

COC(=O)CCc1ccc(NCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.49
FFAR4 Q5NUL3 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CASP1 P29466 1/20 0.43
PTPN1 P18031 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL21137668 0.83 ALDH1A1 (0.65) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL62534 0.83 ALDH1A1 (0.59) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL11453114 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1MAPTRAB9A
SCHEMBL28257721 0.82 LMNA (0.53) ALDH1A1MAPK1L3MBTL1LMNAMAPT
SCHEMBL11454434 0.82 ALDH1A1 (0.54) TDP1ALDH1A1MAPK1L3MBTL1CA12
Hydrochloric Acid SCHEMBL27368126 0.81 ALDH1A1 (0.58) TDP1ALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL6560866 0.80 HIF1A (0.56) FFAR1ALDH1A1KDM4ELMNAMAPT
Methyl 3-Phenylpropanoate SCHEMBL168711 0.80 TDP1 (0.68) FFAR1TDP1ALDH1A1CA12CA7
SCHEMBL22338581 0.79 KDM1A (0.57) ALDH1A1MAPK1KDM4ELMNAMAPT
SCHEMBL11465968 0.79 MEN1 (0.57) ALDH1A1MAPK1L3MBTL1KDM4ELMNA

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-0587134-A2 Cyclic urea derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-03-16 EP disclosed