SCHEMBL8329548

SCHEMBL8329548

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MMP8 P22894 1/20 0.39
SYK P43405 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
PPARA Q07869 1/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIN1 Q13526 1/20 0.35
PPID Q08752 1/20 0.35
POLB P06746 1/20 0.35
SLC7A5 Q01650 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
SCHEMBL8803294 0.89 MMP8 (0.38) LTA4HMMP8CRHBPCRHR2ALDH1A1
SCHEMBL8799774 0.89 CYP17A1 (0.35) LTA4HALDH1A1KMT2ALMNAMAPT
SCHEMBL8798766 0.88 CYP3A4 (0.37) ALDH1A1KMT2ATSHRPOLB
SCHEMBL8799066 0.87 LMNA (0.39) LTA4HMMP8CRHBPCRHR2LMNA
SCHEMBL8800048 0.85 PGR (0.35) LTA4HALDH1A1KMT2ALMNAMAPT
SCHEMBL8633548 0.83 SLC7A5 (0.40) MMP8CRHBPCRHR2ALDH1A1KMT2A
SCHEMBL8798264 0.80 TBXAS1 (0.37) ALDH1A1
SCHEMBL28134045 0.79 MMP8 (0.42) LTA4HMMP8SYKCRHBPCRHR2
SCHEMBL8798456 0.78 CYP4F2 (0.32) ALDH1A1TSHR
SCHEMBL27540505 0.77 LTA4H (0.43) LTA4HSYKALDH1A1PPARAKMT2A

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