SCHEMBL7952798

SCHEMBL7952798

CCC[C@H](C)CC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
TSHR P16473 3/20 0.41
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
SOAT1 P35610 1/20 0.36

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
SCHEMBL5001444 1.00 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9180688 0.88 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1765985 0.88 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5972479 0.86 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL10048635 0.86 ACE2 (0.47) MGAMGAASIMGAM2FAAH
SCHEMBL10406141 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28433218 0.85 TSHR (0.39) ALDH1A1TSHRCYP3A4TDP1CHRM1
SCHEMBL19615380 0.85 L3MBTL1 (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL29991139 0.85 FAAH (0.49) MGAMGAASIMGAM2ALDH1A1
SCHEMBL27491102 0.85 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017062468-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2017-04-13 WO disclosed
US-6265440-B1 STOMACH ULCERS R-TECH UENO, LTD. (JP) 2001-07-24 US disclosed
WO-2000024358-A2 SYNTHESIS AND USES OF THIOPENTONE ENANTIOMERS THE UNIVERSITY OF SYDNEY (AU) 2000-05-04 WO disclosed
US-5886034-A ANTIULCER AGENTS KABUSHIKI KAISHA UENO SEIYAKU KENKYUJO (JP) 1999-03-23 US disclosed
US-5770759-A 13,14-DIHYDRO-15-KETO-PGF'S; VASOPRESSORS R-TECH UENO, LTD. (JP) 1998-06-23 US disclosed
US-5591887-A 13,14-DIHYDRO-15-KETO-PGFS R-TECH UENO, LTD. (JP) 1997-01-07 US disclosed
US-5428062-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-06-27 US disclosed
US-5380709-A Prostaglandins E and anti ulcers containing same K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1995-01-10 US disclosed
US-5284858-A Prostaglandins E and anti ulcers containing same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1994-02-08 US disclosed
US-5225439-A Side effect reduction K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1993-07-06 US disclosed
US-5221763-A 13,14-dihydro-15-keto-PGFs and salts R-TECH UENO, LTD. (JP) 1993-06-22 US disclosed
US-5166174-A For duodenal ulcers or gastric ulcers K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1992-11-24 US disclosed
EP-0284180-B1 PROSTAGLANDINS E AND ANTI ULCERS CONTAINING SAME Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-08-19 EP disclosed
US-5106869-A Vasopressor activity without ephemeral vasorelaxation; no effect on trachea, intestine K.K. UENO SEIYAKU OYO KENKYUJO (JP) 1992-04-21 US disclosed
EP-0289349-B1 PROSTAGLANDINS OF THE F SERIES Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-01-29 EP disclosed
EP-0289349-A1 Prostaglandins of the F series Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-11-02 EP disclosed
EP-0284180-A1 Prostaglandins E and anti ulcers containing same Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1988-09-28 EP disclosed