Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486965

SCHEMBL2486965

SCHEMBL2486965

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.46
▸ ACHE P22303 14/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HCAR2 Q8TDS4 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL2487393 0.84 EPHX1 (0.47) EPHX1ACHEALDH1A1POLBATM
SCHEMBL11525795 0.81 EPHX1 (0.48) EPHX1ACHEALDH1A1POLBATM
SCHEMBL11100479 0.81 EPHX1 (0.52) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL7368744 0.81 EPHX1 (0.44) EPHX1ACHEALDH1A1POLBATM
SCHEMBL4669846 0.81 EPHX1 (0.44) EPHX1ACHEALDH1A1POLBATM
SCHEMBL5492611 0.81 POLB (0.46) EPHX1ACHEALDH1A1POLBATM
SCHEMBL10476092 0.81 EPHX1 (0.44) EPHX1ACHEALDH1A1POLBATM
Ammonia Solution, Strong SCHEMBL27626603 0.79 EPHX1 (0.50) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL5774552 0.79 EPHX1 (0.43) EPHX1ACHEALDH1A1POLBATM
SCHEMBL5201837 0.79 EPHX1 (0.43) EPHX1ACHEALDH1A1POLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010132839-A9 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2011-09-15 — — WO disclosed