SCHEMBL1963985

SCHEMBL1963985

CC(C)CC(NO)C(=O)O.CC(NS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.43
FOLH1 Q04609 4/20 0.41
RNPEP Q9H4A4 1/20 0.41
LAP3 P28838 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MME P08473 2/20 0.38
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37

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
SCHEMBL1963988 1.00 ALDH1A1 (0.48) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL818702 0.86 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL818701 0.86 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7450904 0.86 ALDH1A1 (0.61) ALDH1A1MEN1LMNAKMT2AMAPT
Ammonia Solution, Strong SCHEMBL28224305 0.84 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL20241533 0.80 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL30962439 0.80 ALDH1A1 (0.59) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL817639 0.77
SCHEMBL817640 0.77
Propionaldehyde SCHEMBL27094320 0.76 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT

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 claimed
WO-2010033640-A1 BIORESORBABLE POLYMERS SYNTHESIZED FROM MONOMER ANALOGS OF NATURAL METABOLITES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-03-25 WO claimed