SCHEMBL11394681

SCHEMBL11394681

CCCCCCOC(=O)NCCl

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 13/20 0.67
▸ EPHX1 P07099 1/20 0.63
▸ NAAA Q02083 1/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL7206365 0.92 ACHE (0.60) ACHEEPHX1
SCHEMBL10813916 0.84 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL28075463 0.84 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL11493296 0.84 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL5545156 0.84 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL22556158 0.84 — —
SCHEMBL7155278 0.82 ACHE (0.89) ACHEEPHX1EPHX2
SCHEMBL5830700 0.82 ACHE (0.89) ACHEEPHX1EPHX2
SCHEMBL13700183 0.82 ACHE (0.89) ACHEEPHX1EPHX2
SCHEMBL1026398 0.82 ACHE (0.89) ACHEEPHX1EPHX2

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
US-4276285-A SYNERGISTIC BACTERICIDES PFIZER INC. (US) 1981-06-30 — — US disclosed
US-4234579-A Penicillanic acid 1,1-dioxides as β-lactamase inhibitors PFIZER INC. (US) 1980-11-18 — — US disclosed
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