SCHEMBL8327495

SCHEMBL8327495

CCOC(=O)C(CCCNC(=O)OC(C)(C)C)(CCCC1CCCCC1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
TDP1 Q9NUW8 1/20 0.41
PTPRB P23467 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
HRH3 Q9Y5N1 2/20 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
SCHEMBL8331769 0.94 EPHX1 (0.44) EPHX1TDP1PTPRBCTSSCTSK
SCHEMBL8328919 0.91 EPHX1 (0.46) EPHX1TDP1PTPRBCTSSCTSK
SCHEMBL8323679 0.88 EPHX1 (0.44) EPHX1TDP1PTPRBCTSSCTSK
SCHEMBL8798967 0.87 EPHX1 (0.43) EPHX1TDP1CTSSCTSKMEN1
SCHEMBL8329946 0.84 EPHX1 (0.49) EPHX1TDP1PTPRBCTSSCTSK
SCHEMBL8800046 0.83 EPHX1 (0.43) EPHX1TDP1PTPRBCTSSCTSK
SCHEMBL4073139 0.82 EPHX1 (0.60) EPHX1TDP1CTSSCTSKMEN1
SCHEMBL8800113 0.82 EPHX1 (0.44) EPHX1TDP1PTPRBCTSSCTSK
SCHEMBL4072834 0.81 EPHX1 (0.57) EPHX1TDP1CTSSCTSKMEN1
Potassium Ion SCHEMBL8798425 0.81 EPHX1 (0.45) EPHX1TDP1CTSSCTSKMEN1

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