SCHEMBL8380872

SCHEMBL8380872

O=C(O)CC(NC(=O)Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.58
KMT2A Q03164 2/20 0.57
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TMPRSS15 P98073 5/20 0.53
PSMB8 P28062 1/20 0.51
PSMB5 P28074 1/20 0.51
LMNA P02545 1/20 0.47
MME P08473 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL27694708 0.85 GAA (0.59) CNR2KMT2ATMPRSS15PSMB8PSMB5
SCHEMBL10748157 0.85 GAA (0.59) CNR2KMT2ATMPRSS15PSMB8PSMB5
SCHEMBL10770401 0.85 GAA (0.59) CNR2KMT2ATMPRSS15PSMB8PSMB5
SCHEMBL6136364 0.84 CNR2 (0.58) CNR2KMT2APSMB8PSMB5LMNA
SCHEMBL6352775 0.84 TMPRSS15 (0.54) CNR2KMT2ARECQLSMN1; SMN2TMPRSS15
SCHEMBL26264274 0.84 CNR2 (0.54) CNR2KMT2ATMPRSS15CNR1
SCHEMBL24130279 0.83 CNR2 (0.56) CNR2KMT2APSMB8PSMB5LMNA
SCHEMBL24130286 0.83 CNR2 (0.56) CNR2KMT2APSMB8PSMB5LMNA
SCHEMBL26264276 0.81 MME (0.53) CNR2KMT2ASMN1; SMN2TMPRSS15MME
SCHEMBL2314965 0.80 MME (0.71) CNR2KMT2APSMB8PSMB5MME

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-5952503-A Method for producing optically-active 2-piperazinecarboxylic acid derivatives TORAY INDUSTRIES, INC. (JP) 1999-09-14 US disclosed
EP-0906906-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE 2-PIPERAZINECARBOXYLIC ACID DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1999-04-07 EP disclosed