SCHEMBL7274374

SCHEMBL7274374

CCOP(=O)(OCC)C(Cc1ccccc1)NC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
TAAR1 Q96RJ0 2/20 0.44
SLC18A2 Q05940 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7878480 0.87 POLB (0.49) POLBNPSR1MEN1KMT2AGAA
SCHEMBL11163507 0.84 MEN1 (0.58) POLBNPSR1MEN1KMT2AGAA
SCHEMBL27832205 0.84 NPSR1 (0.50) POLBNPSR1MEN1KMT2AGAA
SCHEMBL14377773 0.81 SMN1; SMN2 (0.60) POLBGAASMN1; SMN2
SCHEMBL14377755 0.80 F2 (0.59) POLBGAASMN1; SMN2
SCHEMBL14377732 0.79 GAA (0.51) POLBNPSR1MEN1KMT2AGAA
SCHEMBL13685284 0.78 POLB (0.53) POLBNPSR1MEN1KMT2AGAA
SCHEMBL27828383 0.78 GAA (0.55) POLBNPSR1KMT2AGAAKDM4E
SCHEMBL14376753 0.78 F2 (0.63)
SCHEMBL9053712 0.77 POLB (0.60) POLBNPSR1MEN1KMT2AGAA

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-0210545-A2 Phosphorous containing enzyme inhibitors MERCK & CO. INC. (US) 1987-02-04 EP disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP disclosed
EP-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP disclosed