SCHEMBL10629902

SCHEMBL10629902

CCCCNC(=O)OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.68
EPHX1 P07099 1/20 0.52
PAM P19021 2/20 0.48
EPHX2 P34913 2/20 0.48

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
SCHEMBL10742242 0.94 ACHE (0.60) ACHEEPHX1PAMEPHX2
SCHEMBL23436332 0.92 EPHX1 (0.63) ACHEEPHX1PAMEPHX2
SCHEMBL23666220 0.92 EPHX1 (0.63) ACHEEPHX1PAMEPHX2
SCHEMBL10016930 0.84 ACHE (0.68) ACHEEPHX1
SCHEMBL23077463 0.82 ACHE (0.44) ACHEEPHX2
SCHEMBL593415 0.81 ACHE (0.76) ACHEEPHX1
SCHEMBL5249793 0.81 ACHE (0.63) ACHEEPHX1
SCHEMBL8769659 0.81 ACHE (0.63) ACHEEPHX1
SCHEMBL10740358 0.81 ACHE (0.75) ACHEEPHX1EPHX2
SCHEMBL31299255 0.80 ACHE (0.68) ACHEEPHX1

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
WO-2021142577-A1 ARYLAMIDE COMPOUND BASED ON BENZENE RING SUPRAMOLECULAR INTERACTION, SELF-ASSEMBLY MORPHOLOGY, AND USE 易天奇 2021-07-22 WO disclosed
US-4735962-A ANTICOAGULANTS, BRONCHODILATORS E. R. SQUIBB & SONS, INC. (US) 1988-04-05 US disclosed
EP-0220848-A2 7-Oxabicycloheptane substituted amide-carbamate prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1987-05-06 EP disclosed
US-4652576-A CARDIOVASCULAR DISORDERS, ANTICOAGULANTS E. R. SQUIBB & SONS, INC. (US) 1987-03-24 US disclosed