SCHEMBL8645448

SCHEMBL8645448

CCCCOC(=O)NCC#CN

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.53
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8769630 0.85 ACHE (0.56) ACHEEPHX1ALDH1A1
SCHEMBL8195570 0.82 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL337339 0.82 ACHE (0.53) ACHEEPHX1ALDH1A1
SCHEMBL7877545 0.81 ACHE (0.51) ACHEEPHX1ALDH1A1
SCHEMBL3627549 0.79 ACHE (0.58) ACHEEPHX1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL7877530 0.79 ACHE (0.50) ACHEEPHX1ALDH1A1
SCHEMBL3645511 0.78 EPHX2 (0.53) ACHE
SCHEMBL5217196 0.78 ACHE (0.56) ACHEEPHX1ALDH1A1
SCHEMBL30473390 0.78 ACHE (0.56) ACHEEPHX1ALDH1A1RAB9A
SCHEMBL6688659 0.77 ACHE (0.56) ACHEEPHX1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0616015-B1 Fungicidal protective coating for air handling equipment FOSTER PRODUCTS CORP (US) 1998-08-12 EP claimed
EP-0616015-A2 Fungicidal protective coating for air handling equipment FOSTER PRODUCTS CORPORATION (US) 1994-09-21 EP claimed
US-5314719-A Fungicidal protective coating for air handling equipment FOSTER PRODUCTS CORPORATION (US) 1994-05-24 US claimed
EP-0616015-B1 Fungicidal protective coating for air handling equipment FOSTER PRODUCTS CORP (US) 1998-08-12 EP disclosed
EP-0616015-A2 Fungicidal protective coating for air handling equipment FOSTER PRODUCTS CORPORATION (US) 1994-09-21 EP disclosed
US-5314719-A Fungicidal protective coating for air handling equipment FOSTER PRODUCTS CORPORATION (US) 1994-05-24 US disclosed