SCHEMBL8887828

SCHEMBL8887828

CCOC(O)(C(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.32
TSHR P16473 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
GLO1 Q04760 1/20 0.30

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
SCHEMBL10071035 0.76
SCHEMBL15116489 0.72
SCHEMBL10999225 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10TDP1GAA
SCHEMBL17487351 0.70
SCHEMBL28906642 0.69 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10GAAALOX15
Acetone SCHEMBL28323239 0.69 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TDP1GAA
Acetone SCHEMBL3131149 0.69 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10TDP1GAA
Acetic Acid SCHEMBL9771962 0.69 FFAR3 (0.41) ALDH1A1LMNAHSD17B10TDP1GAA
SCHEMBL7276742 0.69 FFAR3 (0.36) ALDH1A1LMNAHSD17B10TDP1GAA
SCHEMBL28476006 0.69 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TDP1GAA

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-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed