SCHEMBL4764642

SCHEMBL4764642

CCCCOC(=O)NC(C(=O)O)C(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
ACHE P22303 9/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSK P43235 1/20 0.39
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL697937 0.89 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL1534984 0.89 EPHX1 (0.43) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL6201756 0.86 EPHX1 (0.41) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL7768778 0.83 EPHX1 (0.53) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL29508388 0.80 EPHX1 (0.44) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL10137321 0.78 KDM4E (0.36) EPHX1ACHEALDH1A1SMN1; SMN2RAB9A
SCHEMBL7416590 0.78 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL7382450 0.76 GRN (0.41) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL476725 0.76 EPHX1 (0.47) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL459573 0.76 EPHX1 (0.47) EPHX1ACHEALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928867-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. Hoffmann-La Roche AG (CH) 2015-10-14 EP disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
EP-1505963-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed