Alanine

Alanine

SCHEMBL6904183

CC(N)C(=O)O.O=C1CN(Sc2ccccc2)C(=O)N1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ELANE P08246 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ATM Q13315 2/20 0.32
MAPK1 P28482 1/20 0.32
ACE P12821 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRNP P04156 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL62940 0.85 MAPT (0.46) ALDH1A1MAPTHSD17B10HTTMEN1
Benzene SCHEMBL27623239 0.85 MAPT (0.46) ALDH1A1MAPTHSD17B10HTTMEN1
Norleucine SCHEMBL7458261 0.83 SLC1A2 (0.38) MEN1KMT2ATDP1
Edetol SCHEMBL10909331 0.78 RET (0.34) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL27404604 0.76 PTGS2 (0.39) ALDH1A1MAPTHSD17B10MAOAMAOB
SCHEMBL9701179 0.71 TDP2 (0.35) ALDH1A1MAPTHSD17B10MEN1KMT2A
Alanine SCHEMBL9768354 0.71 CRBN (0.63) ALDH1A1MAPTACETOP2ATOP2B
Alanine SCHEMBL6904189 0.69 GAA (0.45) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL9864475 0.69 MAPT (0.38) ALDH1A1MAPTHSD17B10HTTMEN1
Oxindole SCHEMBL28451028 0.65 AHR (0.66) MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788305-B1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS UNIV COLUMBIA (US) 2004-11-03 EP disclosed
US-6037386-A LATEX BARRIER HAVING POLYMER MATRIX COMPRISING ZINC OXIDE OR ZINC GLUCONATE GEL IRRITANT DEACTIVATING AGENT; CONDOMS, GLOVES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2000-03-14 US disclosed
US-5965610-A MIXTURE CONTAINING CHLORHEXIDINE GLUCONATE AND ZINC GLUCONATE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1999-10-12 US disclosed
EP-0788305-A4 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS UNIV COLUMBIA (US) 1999-05-26 EP disclosed
US-5708023-A NONIRRITATING GEL FOR SKIN THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1998-01-13 US disclosed
EP-0788305-A1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS The Trustees of Columbia University in the City of New York (US) 1997-08-13 EP disclosed
WO-1995026134-A1 COMPOSITION FOR INACTIVATING IRRITANTS IN FLUIDS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-10-05 WO disclosed