SCHEMBL10713841

SCHEMBL10713841

CC(C(=O)Oc1cccc2ccccc12)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 3/20 0.60
GAA P10253 2/20 0.60
PGR P06401 1/20 0.60
PTGS1 P23219 1/20 0.60
MAPK1 P28482 1/20 0.60
KMT2A Q03164 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KDM4E B2RXH2 3/20 0.50
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MMP2 P08253 1/20 0.48
FABP7 O15540 3/20 0.47
FABP3 P05413 3/20 0.47
FABP5 Q01469 3/20 0.47
BCHE P06276 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PTGES O14684 1/20 0.46

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
SCHEMBL10713844 0.92 ALDH1A1 (0.55) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL10714230 0.89 ALDH1A1 (0.60) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL27660507 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10GAAPGRPTGS1
Hydrochloric Acid SCHEMBL27504502 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL4600933 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL8458747 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL10770213 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL246709 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL11991237 0.86 ALDH1A1 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1
SCHEMBL8664311 0.84 HSD17B10 (0.57) ALDH1A1HSD17B10GAAPGRPTGS1

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
EP-0173041-B1 2-SUBSTITUTED-1,3-PROPYLIDENEDIPHOSPHONATE DERIVATIVES, THE PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1988-11-30 EP disclosed
US-4696920-A CARDIOVASCULAR DISORDERS SYMPHAR S.A. (CH) 1987-09-29 US disclosed
EP-0173041-A1 2-Substituted-1,3-propylidenediphosphonate derivatives, the process for their preparation and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1986-03-05 EP disclosed