SCHEMBL29564154

SCHEMBL29564154

O=C(O)C(=O)CN1C(=O)CC[C@H]1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.42
GYS1 P13807 1/20 0.34
P2RX7 Q99572 8/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RORC P51449 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6694973 0.85 ACE (0.44) ACEP2RX7KMT2AMEN1POLB
SCHEMBL29150853 0.84 ACE (0.43) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL6705720 0.84 ACE (0.43) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL31694803 0.79 ACE (0.43) ACEP2RX7KMT2AMEN1POLB
SCHEMBL2583834 0.79 P2RX7 (0.48) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL2583832 0.79 P2RX7 (0.48) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL10881007 0.78 TP53 (0.44) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL10881010 0.78 TP53 (0.44) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL31694874 0.78 ACE (0.42) ACEGYS1P2RX7KMT2AMEN1
SCHEMBL1914212 0.78 P2RX7 (0.51) ACEP2RX7KMT2A

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
WO-2022073502-A1 USE OF BIOMARKER IN PREPARATION OF LUNG CANCER DETECTION REAGENT AND RELATED METHOD 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2022-04-14 WO claimed
WO-2022073502-A1 USE OF BIOMARKER IN PREPARATION OF LUNG CANCER DETECTION REAGENT AND RELATED METHOD 中山大学肿瘤防治中心(中山大学附属肿瘤医院、中山大学肿瘤研究所) 2022-04-14 WO disclosed