SCHEMBL9053565

SCHEMBL9053565

C[C@H](C(=O)O)c1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
PRSS1 P07477 7/20 0.47
ACR P10323 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP10 Q53GL7 1/20 0.43
TMPRSS15 P98073 4/20 0.41
HGFAC Q04756 1/20 0.41
F2 P00734 1/20 0.41
F7 P08709 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL9229509 1.00 NR1H4 (0.48) NR1H4PRSS1ACRKMT2AMEN1
SCHEMBL9236101 0.95 TMPRSS15 (0.46) NR1H4PRSS1ACRKMT2AMEN1
SCHEMBL9235375 0.95 TMPRSS15 (0.46) NR1H4PRSS1ACRKMT2AMEN1
SCHEMBL9233756 0.95 TMPRSS15 (0.46) NR1H4PRSS1ACRKMT2AMEN1
SCHEMBL9412066 0.91 ACR (0.48) PRSS1ACRKMT2AMEN1SMN1; SMN2
SCHEMBL11305242 0.91 ACR (0.48) PRSS1ACRKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL9233154 0.90 ACR (0.50) PRSS1ACRKMT2AMEN1SMN1; SMN2
SCHEMBL11316672 0.89 ACR (0.46) PRSS1ACRKMT2AMEN1SMN1; SMN2
SCHEMBL11308234 0.87 ACR (0.45) PRSS1ACRKMT2AMEN1SMN1; SMN2
SCHEMBL11309495 0.87 ACR (0.45) PRSS1ACRKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8020570-A None JP disclosed
JP-H0820570-A ALPHA-SUBSTITUTED PROPIONIC ACID ESTER COMPOUND TEIKOKU CHEM IND CORP LTD 1996-01-23 JP disclosed
EP-0673924-A1 PROPIONIC ACID DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1995-09-27 EP disclosed