SCHEMBL2771320

SCHEMBL2771320

COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.54
▸ MAOB P27338 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ CYP1A1 P04798 1/20 0.42
▸ GUSB P08236 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40

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
SCHEMBL2771225 0.91 PTGES (0.54) PTGESMAOBALOX5CYP1A1CYP1B1
SCHEMBL2772806 0.91 KDM4E (0.48) PTGESMAOBALOX5POLBTP53
SCHEMBL2805301 0.88 PTGES (0.41) PTGESMAOBALOX5PIM1CDK5
SCHEMBL2787046 0.86 PTGES (0.40) PTGESALOX5TP53ALDH1A1MEN1
SCHEMBL2771578 0.85 ALDH1A1 (0.41) PTGESMAOBALOX5POLBTP53
SCHEMBL2787871 0.85 PDE4D (0.40) PTGESMAOBALOX5ALDH1A1MEN1
SCHEMBL2789925 0.85 PDE4A (0.52) PTGESMAOBKDM4EALDH1A1MEN1
SCHEMBL2772036 0.84 ALDH1A1 (0.40) PTGESMAOBALOX5POLBTP53
SCHEMBL2771444 0.83 SMPD1 (0.42) PTGESMAOBALOX5POLBTP53
SCHEMBL2771247 0.83 PDE4A (0.46) CYP1A1CDK5CDK5R1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 — — WO disclosed
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