SCHEMBL8329546

SCHEMBL8329546

CCOC(=O)C(CCC(N)C(=O)OC(C)(C)C)(OCc1ccccc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
MMP8 P22894 1/20 0.40
SYK P43405 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
SLC7A5 Q01650 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
PIN1 Q13526 1/20 0.36
PSMB5 P28074 1/20 0.35

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
SCHEMBL8803290 0.90 LTA4H (0.46) LTA4HMMP8ALDH1A1RECQLSLC7A5
SCHEMBL8799769 0.89 LTA4H (0.41) LTA4HKMT2ALMNAALDH1A1L3MBTL1
SCHEMBL8799063 0.88 LTA4H (0.45) LTA4HMMP8LMNASMN1; SMN2
SCHEMBL8798762 0.87 LTA4H (0.41) LTA4HKMT2AALDH1A1SMN1; SMN2
SCHEMBL8800040 0.85 LTA4H (0.42) LTA4HKMT2ALMNAMAPTALDH1A1
SCHEMBL8633545 0.83 SLC7A5 (0.43) LTA4HMMP8KMT2ALMNAALDH1A1
SCHEMBL8798260 0.80 LTA4H (0.38) LTA4HKMT2ASMN1; SMN2
SCHEMBL8331038 0.78 CYP4F2 (0.33) LTA4HALDH1A1
SCHEMBL29447511 0.78 LTA4H (0.57) LTA4HSYKALDH1A1SLC7A5L3MBTL1
SCHEMBL8799950 0.78 ALDH1A1 (0.38) LTA4HMAPTALDH1A1L3MBTL1SMN1; SMN2

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