SCHEMBL8580371

SCHEMBL8580371

CCCCC(=O)OC1=CC(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLM Q9NP87 2/20 0.45
POLK Q9UBT6 2/20 0.45
POLL Q9UGP5 2/20 0.45
POLH Q9Y253 2/20 0.45
ERBB2 P04626 1/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
MIF P14174 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALOX15 P16050 1/20 0.35
DGKA P23743 1/20 0.34
ALOX5 P09917 2/20 0.34

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
SCHEMBL27480100 0.94 POLM (0.52) POLMPOLKPOLLPOLHERBB2
SCHEMBL28145047 0.94 POLM (0.52) POLMPOLKPOLLPOLHERBB2
SCHEMBL8581196 0.90 ERBB2 (0.47) POLMPOLKPOLLPOLHERBB2
SCHEMBL28353710 0.81 POLM (0.48) POLMPOLKPOLLPOLHKMT2A
SCHEMBL28084879 0.79 POLM (0.50) POLMPOLKPOLLPOLHKMT2A
SCHEMBL28204064 0.77 ERBB2 (0.47) ERBB2KMT2AMEN1RECQLMAPT
SCHEMBL27920930 0.75 ERBB2 (0.46) ERBB2KMT2ASMN1; SMN2MIFMAPT
SCHEMBL7738225 0.73 ERBB2 (0.52) ERBB2KMT2AKDM4EMEN1ACHE
SCHEMBL4552746 0.72 ERBB2 (0.56) ERBB2KMT2AKDM4EMEN1RECQL
Acetic Acid SCHEMBL28989540 0.72 MAOA (0.45) ERBB2KMT2AMEN1ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5708168-A FOR TREATING OR PREVENTING NEURONAL LOSS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1998-01-13 US disclosed
WO-1996015112-A1 AZEPINE SYNTHESIS VIA A DIELS-ALDER REACTION ACEA PHARMACEUTICALS, INC. (US) 1996-05-23 WO disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed