SCHEMBL9826319

SCHEMBL9826319

CCOC(=O)c1oc(C(=O)OCC)c(OC(C)C)c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
AHR P35869 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
PLK1 P53350 1/20 0.38
TSHR P16473 1/20 0.37
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 3/20 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
SCHEMBL9826046 0.91 KDM4E (0.37) KDM4ENPC1MAPTRAB9AAHR
SCHEMBL9825865 0.75 MAPT (0.42) KDM4ENPC1MAPTRAB9AAHR
Hydrochloric Acid SCHEMBL6978323 0.74 KDM4E (0.50) KDM4ENPC1MAPTRAB9AAHR
SCHEMBL3616111 0.74 RAB9A (0.53) KDM4ENPC1MAPTRAB9AAHR
SCHEMBL9826324 0.74 MAPT (0.49) KDM4ENPC1MAPTRAB9AAHR
SCHEMBL3609992 0.73 RAB9A (0.52) KDM4ENPC1MAPTRAB9AAHR
SCHEMBL3618501 0.73 RAB9A (0.53) KDM4ENPC1MAPTRAB9AL3MBTL1
SCHEMBL28020117 0.73 KMT2A (0.49) NPC1MAPTRAB9ALMNAHPGD
SCHEMBL16272967 0.70 NPC1 (0.45) KDM4ENPC1MAPTRAB9AAHR
SCHEMBL96205 0.69 HPGD (0.50) KDM4ENPC1MAPTRAB9AAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249236-B1 N-1H-TETRAZOL-5-YL-(5-RING)-CARBOXAMIDE-DERIVATIVES, A PROCESS FOR THEIR MANUFACTURE, AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1991-04-24 EP disclosed
US-4824958-A Process for the preparation of n-1H-tetrazol-5-yl-2-pyrrole carboxamides WARNER-LAMBERT COMPANY (US) 1989-04-25 US disclosed
US-4748183-A N-1H-tetrazol-5-yl-2-thiophene carboxamides, N-1H-tetrazol-5-yl-2-pyrrole carboxamides, N-1H-tetrazol-5-yl-2-furan carboxamides, and anti-allergic and anti-inflammatory use thereof WARNER-LAMBERT COMPANY (US) 1988-05-31 US disclosed
EP-0249236-A1 N-1H-Tetrazol-5-yl-(5-Ring)-carboxamide-derivatives, a process for their manufacture, and the use thereof WARNER-LAMBERT COMPANY (US) 1987-12-16 EP disclosed