SCHEMBL995916

SCHEMBL995916

CC(O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
ACE P12821 3/20 0.52
CPA1 P15085 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP2 P08253 1/20 0.51
MMP7 P09237 1/20 0.51
MMP9 P14780 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL15592756 0.87 MME (0.58) MMEL3MBTL1ACECPA1ACE2
SCHEMBL2781126 0.87 MME (0.58) MMEL3MBTL1ACECPA1ACE2
SCHEMBL123574 0.87 MME (0.58) MMEL3MBTL1ACECPA1ACE2
SCHEMBL7379335 0.87 MME (0.70) MMEL3MBTL1ACECPA1ACE2
SCHEMBL9068541 0.87 MME (0.70) MMEL3MBTL1ACECPA1ACE2
SCHEMBL8254204 0.86 MME (0.56) MMEL3MBTL1ACECPA1ACE2
Hydrochloric Acid SCHEMBL28854963 0.86 MME (0.56) MMEL3MBTL1ACECPA1ACE2
SCHEMBL22624332 0.86 MME (0.56) MMEL3MBTL1ACECPA1ACE2
SCHEMBL5870242 0.86 MME (0.56) MMEL3MBTL1ACECPA1ACE2
SCHEMBL23156997 0.84 MME (0.55) MMEL3MBTL1ACECPA1ACE2

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
US-20120198576-A1 METHODS FOR MAKING EMBRYONIC CELLS, EMBRYOS, AND ANIMALS SENSITIZED TO STRESS BRANDEIS UNIVERSITY (US) 2012-08-02 US disclosed
WO-2011002955-A2 METHODS FOR MAKING EMBRYONIC CELLS, EMBRYOS, AND ANIMALS SENSITIZED TO STRESS BRANDEIS UNIVERSITY (US) 2011-01-06 WO disclosed