SCHEMBL7362450

SCHEMBL7362450

CNCCN(CCOC)CCOC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
PRMT8 Q9NR22 1/20 0.42
PIK3CD O00329 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL27365590 0.91 PRMT3 (0.36) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL47061 0.89 PRMT3 (0.34) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL3318180 0.89 PRMT3 (0.37) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL22961939 0.84 PRMT3 (0.32) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL19704692 0.82 CA2 (0.35) CA2
SCHEMBL562717 0.81 PRMT3 (0.59) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL1292539 0.81 PIK3CD (0.43) PIK3CDMEN1KMT2ACA2
SCHEMBL25792518 0.79 PRMT3 (0.33) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL14996455 0.79
SCHEMBL21540184 0.79 EPHX1 (0.37)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5348953-A Elastase inhibitor MERCK & CO., INC. (US) 1994-09-20 US disclosed
WO-1994013636-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
EP-0525973-A2 Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1993000332-A1 SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-01-07 WO disclosed