SCHEMBL7454833

SCHEMBL7454833

C=CCNC(CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.44
FOLH1 Q04609 3/20 0.42
LAP3 P28838 3/20 0.40
FPR2 P25090 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G2A P14555 2/20 0.38
PLA2G5 P39877 2/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
ATM Q13315 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
MME P08473 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
SCHEMBL7454824 1.00 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL12824095 0.81 TAS1R3 (0.48) FOLH1
SCHEMBL614517 0.80 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTFOLH1
SCHEMBL7038338 0.79 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL7038343 0.79 ALDH1A1 (0.53) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL2286681 0.78 TGFBR1 (0.42) ALDH1A1KMT2AMAPTMME
SCHEMBL2286678 0.78 TGFBR1 (0.42) ALDH1A1KMT2AMAPTMME
SCHEMBL10679490 0.77 ALDH1A1 (0.41) ALDH1A1MAPTFPR2MME
SCHEMBL1706955 0.76 TSHR (0.33) ALDH1A1KMT2AMAPT
SCHEMBL747873 0.76 MAPT (0.45) ALDH1A1KMT2AMAPTFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941104-A4 PEPTIDE SYNTHESIS WITH SULFONYL PROTECTING GROUPS UNIV CALIFORNIA (US) 2002-01-02 EP disclosed
EP-0941104-A1 PEPTIDE SYNTHESIS WITH SULFONYL PROTECTING GROUPS The Regents of the University of California (US) 1999-09-15 EP disclosed
US-5942601-A SOLID PHASE PEPTIDE SYNTHESIS BY ATTACHING SULFONYL GROUP ALPHA AMINO PROTECTED AMINO ACID TO SECOND AMINO ACID STABLY ATTACHED TO POLYMER SUPPORT, SEPARATING SOLID POLYMER SUPPORT FROM MIXTURE, REMOVING SULFONYL GROUP, REPEATING SYNTHESIS THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-08-24 US disclosed
WO-1998024461-A1 PEPTIDE SYNTHESIS WITH SULFONYL PROTECTING GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-06-11 WO disclosed