SCHEMBL9199846

SCHEMBL9199846

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.45
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
PPID Q08752 1/20 0.40
PIN1 Q13526 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CTSK P43235 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RORA P35398 1/20 0.37
NR5A1 Q13285 1/20 0.37
PPARG P37231 2/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL7854590 0.78 TDP1 (0.47) MMP8ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL7861325 0.78 L3MBTL1 (0.57) ALDH1A1L3MBTL1LMNASMN1; SMN2NPC1
SCHEMBL9204703 0.75 L3MBTL1 (0.54) ALDH1A1L3MBTL1LMNAPIN1MEN1
SCHEMBL9205212 0.75 ALDH1A1 (0.50) MMP8ALDH1A1L3MBTL1LMNAPIN1
SCHEMBL628126 0.75 KMT2A (0.53) LMNAPIN1SMN1; SMN2MEN1NPC1
SCHEMBL7323723 0.74 TDP1 (0.56) MMP8ALDH1A1L3MBTL1PIN1MEN1
SCHEMBL9199837 0.73 ALDH1A1 (0.47) MMP8ALDH1A1RECQLL3MBTL1LMNA
Water SCHEMBL27325173 0.72 TDP1 (0.51) MMP8ALDH1A1RECQLL3MBTL1LMNA
SCHEMBL3228799 0.72 KMT2A (0.57) MMP8L3MBTL1LMNAPIN1SMN1; SMN2
SCHEMBL14026722 0.72 KMT2A (0.41) MMP8ALDH1A1L3MBTL1LMNAPIN1

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