SCHEMBL3261073

SCHEMBL3261073

CC(C)Oc1n[nH]c(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPT P10636 3/20 0.45
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ GPR55 Q9Y2T6 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ GYS1 P13807 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ NR2F2 P24468 1/20 0.45
▸ ABCC8 Q09428 1/20 0.40
▸ KCNJ11 Q14654 1/20 0.40
▸ AKT2 P31751 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ KCNQ3 O43525 4/20 0.34
▸ KCNQ2 O43526 4/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL13495080 0.79 L3MBTL1 (0.55) L3MBTL1MAPTCNR1CNR2GPR55
SCHEMBL3267568 0.78 AKT2 (0.56) L3MBTL1MAPTCNR1CNR2GPR55
SCHEMBL6854551 0.74 L3MBTL1 (0.65) L3MBTL1MAPTCNR1CNR2GPR55
SCHEMBL13715627 0.65 ABCC8 (0.56) L3MBTL1MAPTCNR1CNR2GPR55
SCHEMBL3261526 0.65 LRRK2 (0.51) KMT2AAKT2CHEK1ALDH1A1POLB
SCHEMBL7779584 0.64 PTGS2 (0.58) L3MBTL1MAPTCNR1CNR2GPR55
SCHEMBL3263313 0.64 ALK (0.47) AKT2CHEK1ALDH1A1JAK2LMNA
SCHEMBL3390214 0.64 IKBKB (0.55) MAPTCNR1CNR2GPR55KMT2A
SCHEMBL3261336 0.63 HSP90AA1 (0.48) L3MBTL1MAPTCNR1CNR2GPR55
SCHEMBL8629976 0.62 L3MBTL1 (0.51) L3MBTL1MAPTCNR1CNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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