SCHEMBL8328323

SCHEMBL8328323

CCOC(=O)C(OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.43
▸ GPR119 Q8TDV5 5/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ RECQL P46063 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DPP4 P27487 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 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

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
SCHEMBL8328321 0.93 HPGD (0.46) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL22907096 0.88 HPGD (0.41) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL8484859 0.84 HPGD (0.45) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL4102689 0.83 EPHX1 (0.47) HPGDGPR119MMP13RECQLEPHX1
SCHEMBL8329690 0.82 KDM4E (0.44) HPGDGPR119MMP13RECQLEPHX1
SCHEMBL2720480 0.79 GPR119 (0.50) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL4106700 0.78 EPHX1 (0.50) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL1873727 0.78 EPHX1 (0.50) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL609639 0.78 EPHX1 (0.50) HPGDGPR119RECQLEPHX1ALDH1A1
SCHEMBL4101370 0.78 EPHX1 (0.50) HPGDGPR119RECQLEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 — — US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 — — EP disclosed
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