SCHEMBL3826518

SCHEMBL3826518

Cc1cc(C)c(N[C@H](C)C(=O)O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RAPGEF4 Q8WZA2 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
METAP2 P50579 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL2775070 1.00 ALDH1A1 (0.46) ALDH1A1RAPGEF4LMNAGAANPSR1
SCHEMBL2775069 1.00 ALDH1A1 (0.46) ALDH1A1RAPGEF4LMNAGAANPSR1
Glycine SCHEMBL11349154 0.90 LMNA (0.50) ALDH1A1RAPGEF4LMNAGAANPSR1
SCHEMBL1422067 0.86 CYTH2 (0.42) ALDH1A1
SCHEMBL1422066 0.86 CYTH2 (0.42) ALDH1A1
SCHEMBL27243575 0.84 ALDH1A1 (0.46) ALDH1A1RAPGEF4LMNAGAAHTT
SCHEMBL11705334 0.81 TSHR (0.43) ALDH1A1RAPGEF4LMNAHTTTSHR
SCHEMBL11202735 0.81 PYGL (0.46) ALDH1A1RAPGEF4LMNAGAANPSR1
SCHEMBL11056093 0.81 PYGL (0.46) ALDH1A1RAPGEF4LMNAGAANPSR1
Glycine SCHEMBL11339724 0.80 LMNA (0.44) ALDH1A1LMNAL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101861299-A Stereoselective Preparation of Amino Acid Derivatives BCN PEPTIDES SA 2010-10-13 CN disclosed
WO-2009065987-A3 METHOD FOR THE STEREOSELECTIVE PREPARATION OF AMINO ACID DERIVATIVES BCN PEPTIDES SA (ES) 2009-07-30 WO disclosed
WO-2009065987-A2 METHOD FOR THE STEREOSELECTIVE PREPARATION OF AMINO ACID DERIVATIVES BCN PEPTIDES S.A. (ES) 2009-05-28 WO disclosed