SCHEMBL9739890

SCHEMBL9739890

CC(CC(=O)O)CN1C[C@H](N)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
DPP4 P27487 2/20 0.34
BHMT Q93088 1/20 0.34
GLRA3 O75311 2/20 0.31
PIK3CD O00329 1/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL22409043 0.77 PIK3CD (0.48) POLBDPP4PIK3CD
SCHEMBL5656499 0.73 ACE (0.44) POLBMAPT
SCHEMBL8189717 0.73 ACE (0.44) POLBMAPT
SCHEMBL2058994 0.69 PIK3CD (0.61) POLBDPP4PIK3CD
SCHEMBL2059377 0.68 PIK3CD (0.50) PIK3CD
SCHEMBL7802821 0.68 ALDH1A1 (0.41)
SCHEMBL5371280 0.67 KMT2A (0.39) POLBPIK3CD
SCHEMBL10563065 0.67
SCHEMBL7506208 0.66 TSHR (0.35) GLRA3
SCHEMBL15198795 0.65 MMP1 (0.39) DPP4

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
EP-0413762-A4 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES 1992-01-15 EP disclosed
EP-0413762-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INCORPORATED (US) 1991-02-27 EP disclosed
WO-1989010961-A1 PEPTIDE ANALOGS AND THEIR USE AS HAPTENS TO ELICIT CATALYTIC ANTIBODIES IGEN, INC. (US) 1989-11-16 WO disclosed