SCHEMBL10499554

SCHEMBL10499554

COC(=O)c1cccc(Cl)c1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A4 P31645 1/20 0.44
CFTR P13569 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3327287 0.84 NR4A2 (0.51) NR4A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL1315877 0.83 KDM4E (0.67) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL6695034 0.83 TSHR (0.54) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL3006462 0.82 KDM4E (0.48) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL9326165 0.80 KDM4E (0.47) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL8262732 0.79 NR4A2 (0.47) NR4A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10695461 0.78 CA1 (0.46) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL7423586 0.78 LMNA (0.49) ALDH1A1KDM4EHSD17B10MAPK1HPGD
SCHEMBL993113 0.77 TSHR (0.59) NR4A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10500084 0.77 KDM4E (0.50) ALDH1A1KDM4EHSD17B10MAPK1HPGD

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-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed