SCHEMBL28405346

SCHEMBL28405346

CCOC(=O)CN1CC(C(=O)O)N(C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.48
ELANE P08246 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL15134208 1.00 ACE (0.48) ACEELANENPC1RAB9ASMN1; SMN2
SCHEMBL15123250 0.92 FKBP1A (0.45) ACEELANEPTPN1HTR2C
SCHEMBL15123248 0.92 FKBP1A (0.45) ACEELANEPTPN1HTR2C
SCHEMBL11285685 0.87 ACE (0.51) ACENPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL11196452 0.87 ACE (0.51) ACENPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL15133222 0.86 ELANE (0.42) ELANENPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL4435031 0.83 ACE (0.61) ACENPC1RAB9ASMN1; SMN2
SCHEMBL7270216 0.83 ACE (0.61) ACENPC1RAB9ASMN1; SMN2
SCHEMBL7271391 0.83 ACE (0.57) ACENPC1RAB9ASMN1; SMN2HTR2C
SCHEMBL7271397 0.83 ACE (0.57) ACENPC1RAB9ASMN1; SMN2HTR2C

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
CN-106496090-B Therapeutically active compounds and methods of use thereof 安吉奥斯医药品有限公司 2020-04-21 CN disclosed