SCHEMBL3262839

SCHEMBL3262839

COc1cccc(-c2c(OC(C)C)n[nH]c2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ATM Q13315 2/20 0.49
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ XDH P47989 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL3261336 0.83 HSP90AA1 (0.48) MAPTKDM4EGFERGAALMNA
SCHEMBL3267568 0.81 AKT2 (0.56) MAPTROCK2ROCK1KDM4EDYRK1A
SCHEMBL24765276 0.80 CHEK1 (0.59) MAPTATMROCK2ROCK1NOTUM
SCHEMBL17156426 0.75 LMNA (0.45) ATMSMN1; SMN2LMNA
SCHEMBL3263313 0.75 ALK (0.47) ROCK1DYRK1ACLK4LMNAALDH1A1
SCHEMBL3262520 0.75 MAPT (0.48) MAPTATMNR1H2NR1H3KDM4E
SCHEMBL3261526 0.74 LRRK2 (0.51) LMNAALDH1A1
SCHEMBL3390214 0.73 IKBKB (0.55) MAPTATMKDM4EGAASMN1; SMN2
SCHEMBL3260654 0.71 MAPT (0.50) MAPTATMKDM4ESMN1; SMN2LMNA
SCHEMBL13426462 0.69 MAPT (0.61) MAPTNOTUMNR1H2NR1H3DCUN1D1

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
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
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