SCHEMBL9727776

SCHEMBL9727776

O=C(Cc1cccc2ccccc12)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.53
PIN1 Q13526 1/20 0.53
LCK P06239 4/20 0.51
ACE P12821 6/20 0.50
MME P08473 5/20 0.50
CPA1 P15085 3/20 0.50
ACE2 Q9BYF1 3/20 0.50
OPRD1 P41143 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL18424523 0.92 PIN1 (0.60) HRH4PIN1LCKACEMME
SCHEMBL18424525 0.92 PIN1 (0.60) HRH4PIN1LCKACEMME
SCHEMBL10722504 0.85 PIN1 (0.64) HRH4PIN1LCKACEMME
SCHEMBL9852754 0.83 PIN1 (0.57) HRH4PIN1ACEMMECPA1
SCHEMBL24597913 0.81 CHRND (0.51) HRH4PIN1LCKMMEOPRD1
SCHEMBL18478935 0.78 ACE (0.60) ACEMMECPA1ACE2OPRD1
SCHEMBL18478933 0.78 ACE (0.60) ACEMMECPA1ACE2OPRD1
SCHEMBL23955938 0.78 ACE (0.60) ACEMMECPA1ACE2OPRD1
SCHEMBL13016862 0.78 OPRD1 (0.53) LCKOPRD1
SCHEMBL3659514 0.77 HRH4 (0.64) HRH4PIN1ACEMMECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed