SCHEMBL9825828

SCHEMBL9825828

COC(=O)c1oc(-c2ccccc2)c(OC(C)C)c1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.43
KDM4E B2RXH2 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
KLKB1 P03952 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TSHR P16473 1/20 0.39
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ABCB1 P08183 2/20 0.38
ADCY1 Q08828 1/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL9827162 0.87 KDM4E (0.41) KDM4EABCG2PDCD1CD274ALDH1A1
SCHEMBL27290346 0.77 KLKB1 (0.45) PTGS1KDM4EKLKB1FGFR1SRC
SCHEMBL27280517 0.77 KDM4E (0.45) KDM4EPDCD1CD274TSHRALDH1A1
SCHEMBL9825659 0.74 PTGS1 (0.48) PTGS1KDM4EATML3MBTL1TSHR
SCHEMBL3975977 0.74 PTGS1 (0.49) PTGS1KDM4EATML3MBTL1TSHR
SCHEMBL9826523 0.74 ADCY1 (0.39) PTGS1KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL72038 0.70 PTGS1 (0.54) PTGS1KDM4ETSHRFGFR1SRC
SCHEMBL27280518 0.69 NR4A2 (0.44) PTGS1KDM4EPDCD1CD274ALDH1A1
SCHEMBL27290347 0.69 KDM4E (0.39) PTGS1KDM4EKLKB1L3MBTL1FGFR1
SCHEMBL10372530 0.69 KLKB1 (0.45) KDM4EKLKB1ALDH1A1MEN1GAA

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