SCHEMBL9199837

SCHEMBL9199837

CCOC(=O)C(Cc1ccccc1)(Oc1ccccc1OC(C)C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MMP8 P22894 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 4/20 0.43
LMNA P02545 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
PIN1 Q13526 1/20 0.40
ACHE P22303 1/20 0.40
PPID Q08752 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
NR5A1 Q13285 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
ACP1 P24666 1/20 0.39
RORA P35398 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL7861235 0.83 ALDH1A1 (0.48) ALDH1A1MMP8RECQLKDM4ELMNA
SCHEMBL7860078 0.82 ALDH1A1 (0.47) ALDH1A1MMP8RECQLL3MBTL1PIN1
SCHEMBL9206341 0.77 KMT2A (0.48) ALDH1A1MMP8RECQLKDM4ELMNA
SCHEMBL7431853 0.76 ALDH1A1 (0.57) ALDH1A1MMP8RECQLLMNAL3MBTL1
SCHEMBL16865453 0.76 ALDH1A1 (0.57) ALDH1A1MMP8RECQLLMNAL3MBTL1
SCHEMBL20350605 0.74 MMP8 (0.58) ALDH1A1MMP8RECQLLMNAL3MBTL1
SCHEMBL9205410 0.73 PPARG (0.50) ALDH1A1MMP8KDM4ELMNATDP1
SCHEMBL22216571 0.73 ALDH1A1 (0.48) ALDH1A1MMP8RECQLLMNATDP1
SCHEMBL9199846 0.73 MMP8 (0.45) ALDH1A1MMP8RECQLKDM4ELMNA
SCHEMBL6740786 0.72 ALDH1A1 (0.56) ALDH1A1MMP8RECQLLMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423802-B1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMA (US) 1995-08-09 EP disclosed
US-5134154-A Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-28 US disclosed
EP-0423802-A1 Phenoxy-heterocyclic compounds MERRELL DOW PHARMACEUTICALS INC. (US) 1991-04-24 EP disclosed