SCHEMBL8779397

SCHEMBL8779397

COc1cc(CCl)ccc1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.66
TSHR P16473 1/20 0.57
TTR P02766 2/20 0.54
NR3C1 P04150 1/20 0.53
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
LTA4H P09960 2/20 0.50
TNFSF11 O14788 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LDHA P00338 1/20 0.49
CFD P00746 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CA2 P00918 1/20 0.47
VCP P55072 1/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL11862228 0.91 PTGS1 (0.54) PTGS1TSHRTTRALDH1A1CFD
SCHEMBL5133639 0.85 PTGS1 (0.68) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL101653 0.85 PTGS1 (0.68) PTGS1TSHRTTRNR3C1JUN
SCHEMBL9808605 0.84 PTGS1 (0.62) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL7650416 0.83 PTGS1 (0.66) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL20117542 0.83 PTGS1 (0.66) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL357406 0.82 PTGS1 (0.64) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL2357109 0.82 PTGS1 (0.64) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL2729631 0.82 PTGS1 (0.64) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL30074670 0.82 CA2 (0.68) TTRPOLBALDH1A1LDHACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457192-B Synthetic method of paradol 桂林理工大学 2023-03-14 CN claimed
CN-112457192-A Synthetic method of paradol 桂林理工大学 2021-03-09 CN claimed
CN-112457192-B Synthetic method of paradol 桂林理工大学 2023-03-14 CN disclosed
CN-112457192-B Synthetic method of paradol 桂林理工大学 2023-03-14 CN disclosed
CN-112457192-A Synthetic method of paradol 桂林理工大学 2021-03-09 CN disclosed
CN-112457192-A Synthetic method of paradol 桂林理工大学 2021-03-09 CN disclosed
EP-0579129-B1 Thiadiazole derivatives for the treatment of depressive states CT LAB FARM SRL (IT) 1997-03-05 EP disclosed
US-5401853-A Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.R.L. (IT) 1995-03-28 US disclosed
EP-0579129-A2 Thiadiazole derivatives for the treatment of depressive states LABORATORIO FARMACEUTICO C.T. S.r.l. (IT) 1994-01-19 EP disclosed