SCHEMBL1966779

SCHEMBL1966779

CCOC(=O)[C@H](CC(C)C)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.46
ALDH1A1 P00352 2/20 0.42
CAD P27708 1/20 0.41
MMP8 P22894 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BIRC2 Q13490 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CAPN9 O14815 1/20 0.38
CTSL P07711 2/20 0.38
LMNA P02545 1/20 0.38
CAPN1 P07384 1/20 0.38
CTSB P07858 1/20 0.38

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
Hydrochloric Acid SCHEMBL1963870 0.98 PPID (0.44) PPIDALDH1A1CADMMP8L3MBTL1
SCHEMBL15746389 0.83 PPID (0.46) PPIDALDH1A1CADL3MBTL1BIRC2
SCHEMBL18964024 0.83 PPID (0.46) PPIDALDH1A1CADL3MBTL1BIRC2
SCHEMBL8562149 0.82 PPID (0.48) PPIDALDH1A1CADL3MBTL1MGAM
Hydrochloric Acid SCHEMBL992282 0.82 PPID (0.44) PPIDALDH1A1CADMMP8L3MBTL1
SCHEMBL23256411 0.82 PPID (0.48) PPIDALDH1A1CADL3MBTL1MGAM
SCHEMBL8257672 0.82 PPID (0.44) PPIDALDH1A1CADL3MBTL1BIRC2
SCHEMBL13879602 0.82 PPID (0.44) PPIDALDH1A1CADMMP8L3MBTL1
Hydrochloric Acid SCHEMBL19949197 0.82 PPID (0.44) PPIDALDH1A1CADMMP8L3MBTL1
Hydrochloric Acid SCHEMBL992281 0.82 PPID (0.44) PPIDALDH1A1CADMMP8L3MBTL1

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
EP-2334712-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES Rutgers, The State University of New Jersey (US) 2011-06-22 EP disclosed
WO-2010033640-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-03-25 WO disclosed