SCHEMBL28087199

SCHEMBL28087199

O=C(O)C1CCCN(C(=O)O)C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.50
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
ACE P12821 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 2/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL20959159 0.86 KMT2A (0.47) RIPK1HTTMEN1KMT2AALDH1A1
SCHEMBL20959158 0.86 KMT2A (0.47) RIPK1HTTMEN1KMT2AALDH1A1
SCHEMBL20959427 0.86 KMT2A (0.47) RIPK1HTTMEN1KMT2AALDH1A1
SCHEMBL5968844 0.82 RIPK1 (0.51) RIPK1ALDH1A1SMN1; SMN2POLBHSP90AA1
SCHEMBL6310814 0.81 RIPK1 (0.50) RIPK1ALDH1A1SMN1; SMN2POLBHSP90AA1
SCHEMBL9294528 0.81 CHRNB2 (0.53) RIPK1HTTMEN1KMT2ALMNA
SCHEMBL5746647 0.81 RIPK1 (0.50) RIPK1ALDH1A1SMN1; SMN2POLBHSP90AA1
SCHEMBL5747606 0.81 RIPK1 (0.50) RIPK1ALDH1A1SMN1; SMN2POLBHSP90AA1
SCHEMBL9294538 0.81 CHRNB2 (0.53) RIPK1HTTMEN1KMT2ALMNA
SCHEMBL5746649 0.81 RIPK1 (0.50) RIPK1ALDH1A1SMN1; SMN2POLBHSP90AA1

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-105764887-A Nitrogen-containing saturated heterocyclic compound 住友化学株式会社 2016-07-13 CN disclosed