SCHEMBL25166100

SCHEMBL25166100

CCOC(=O)CCC(C)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
CTSK P43235 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CYP2D6 P10635 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CTSL P07711 1/20 0.41

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
SCHEMBL29496897 1.00 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL31059732 1.00 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL17771391 0.91 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL12526750 0.91 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL11931408 0.85 CA2 (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL21510806 0.85 CA2 (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL22404433 0.85 CA2 (0.47) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL1747220 0.84 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL84186 0.84 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL14777840 0.83 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19HTTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 WO disclosed
CN-100545160-C Diamine derivative DAIICHI SEIYAKU CO (JP) 2009-09-30 CN disclosed
CN-101163700-A Triamine derivative DAIICHI SEIYAKU CO (JP) 2008-04-16 CN disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed