SCHEMBL8300088

SCHEMBL8300088

C[C@@H]1CCN(C(=O)O)[C@@H](C(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.36
ACHE P22303 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
DPP4 P27487 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
SCHEMBL8300090 1.00 EPHX1 (0.36) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL8539711 0.85 ATM (0.44) ACHEALDH1A1NPC1ATM
SCHEMBL8539717 0.85 ATM (0.44) ACHEALDH1A1NPC1ATM
SCHEMBL8544519 0.81 RIPK1 (0.40) EPHX1DPP4
SCHEMBL8544522 0.81 RIPK1 (0.40) EPHX1DPP4
SCHEMBL2016589 0.80 ALDH1A1 (0.35) ACHEALDH1A1NPC1USP2POLB
SCHEMBL1074843 0.80 DPP4 (0.33) SMN1; SMN2DPP4
SCHEMBL26112742 0.80 DPP4 (0.33) SMN1; SMN2DPP4
SCHEMBL1074840 0.80 DPP4 (0.33) SMN1; SMN2DPP4
SCHEMBL8303790 0.78 ALDH1A1 (0.35) ALDH1A1NPC1POLBHTTKMT2A

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
EP-0614986-B1 Enzymatic racemate cleavage of 2-pipéridine alkylcarboxylates SYNTHELABO (FR) 1999-07-21 EP disclosed
EP-0614986-A1 Enzymatic racemate cleavage of 2-pipéridine alkylcarboxylates and their use as synthesis intermediates SYNTHELABO (FR) 1994-09-14 EP disclosed