SCHEMBL4660926

SCHEMBL4660926

CCOC(=O)CCNC(=O)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
MLYCD O95822 1/20 0.38
CTSK P43235 1/20 0.38
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15359356 0.84 GAA (0.50) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL5571264 0.81 KMT2A (0.52) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL3220536 0.81 GAA (0.56) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL10890026 0.81 GAA (0.44) GAACYP1A2MAPTCYP3A4CYP2D6
SCHEMBL5411533 0.79 GAA (0.48) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL5411539 0.79 GAA (0.48) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL4432951 0.79 GAA (0.48) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL15726347 0.79 CASP2 (0.52) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL22971258 0.79 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL10259138 0.78 GAA (0.47) GAAMGAMSIMGAM2L3MBTL1

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-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO disclosed