SCHEMBL8800040

SCHEMBL8800040

CCOC(=O)C(CCC(N)C(=O)OC(C)(C)C)(OCc1ccccn1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
CYP1A2 P05177 1/20 0.37
SLC1A5 Q15758 1/20 0.37
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 1/20 0.36
PARP10 Q53GL7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL8329546 0.85 LTA4H (0.52) LTA4HSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL8799769 0.83 LTA4H (0.41) LTA4HCYP1A2LMNAALDH1A1HPGD
SCHEMBL8798762 0.82 LTA4H (0.41) LTA4HCYP1A2SLC1A5SMN1; SMN2ALDH1A1
SCHEMBL8803290 0.80 LTA4H (0.46) LTA4HSMN1; SMN2ALDH1A1CTSSCTSK
SCHEMBL8800029 0.78 KEAP1 (0.42) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL8800048 0.78 PGR (0.35) LTA4HCYP1A2SLC1A5PGRADORA3
SCHEMBL8799063 0.78 LTA4H (0.45) LTA4HSMN1; SMN2LMNACTSSCTSK
SCHEMBL8633545 0.77 SLC7A5 (0.43) LTA4HCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL8798260 0.77 LTA4H (0.38) LTA4HSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8799924 0.76 CYP1A2 (0.40) LTA4HCYP1A2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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