SCHEMBL8329946

SCHEMBL8329946

CCOC(=O)C(CCNC(=O)OC(C)(C)C)(CC1CCCCC1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.49
PTPRB P23467 1/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
METAP2 P50579 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL8328919 0.94 EPHX1 (0.46) EPHX1PTPRBKMT2AMEN1ALDH1A1
SCHEMBL8323679 0.89 EPHX1 (0.44) EPHX1PTPRBKMT2AMEN1ALDH1A1
SCHEMBL8327495 0.84 EPHX1 (0.46) EPHX1PTPRBKMT2AMEN1ALDH1A1
SCHEMBL8332090 0.82 METAP2 (0.38) EPHX1KMT2AMEN1TSHRCTSS
SCHEMBL8331369 0.82 MEN1 (0.36) EPHX1KMT2AMEN1ALDH1A1TSHR
SCHEMBL8331769 0.82 EPHX1 (0.44) EPHX1PTPRBKMT2AMEN1ALDH1A1
SCHEMBL8328587 0.81 EPHX1 (0.33) EPHX1PTPRBKMT2AMEN1TSHR
SCHEMBL8329421 0.80 METAP2 (0.40) EPHX1KMT2AMEN1ALDH1A1GAA
SCHEMBL8328926 0.78 METAP2 (0.38) KMT2AMEN1CTSSCTSKMETAP2
SCHEMBL8328594 0.78 REN (0.39) CTSSCTSKMETAP2

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