SCHEMBL8580321

SCHEMBL8580321

CCC(C=CC(C)=O)CC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAPDH P04406 1/20 0.31

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
SCHEMBL8580318 1.00 KDM4E (0.32) KDM4EALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL8948114 0.86 TSHR (0.35) TDP1TSHRSMN1; SMN2
SCHEMBL8948119 0.86 TSHR (0.35) TDP1TSHRSMN1; SMN2
SCHEMBL6065132 0.83 TSHR (0.52) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL6065128 0.83 TSHR (0.52) ALDH1A1TDP1TSHRSMN1; SMN2
SCHEMBL4829236 0.79 GABRP (0.48) ALDH1A1TDP1TSHR
SCHEMBL4829243 0.79 GABRP (0.48) ALDH1A1TDP1TSHR
Hydrochloric Acid SCHEMBL11376163 0.77 ALDH1A1 (0.30) ALDH1A1TDP1GAPDH
SCHEMBL1782478 0.77
SCHEMBL18753087 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP claimed
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
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP disclosed