SCHEMBL7717846

SCHEMBL7717846

CCc1ccc(-c2ccc3c(c2)CCC3=O)c(OCC(C)(C)C(=O)O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.46
DGAT1 O75907 8/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOB P27338 1/20 0.33
CYP2C9 P11712 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33
TUBB1 Q9H4B7 1/20 0.33

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
SCHEMBL7713890 0.90 HSD17B1 (0.45) HSD17B1FFAR4MAOBTUBB4ATUBB
SCHEMBL2591651 0.89 HSD17B1 (0.44) HSD17B1DGAT1CYP2C9TUBB4ATUBB
SCHEMBL7717394 0.80 ALDH1A1 (0.39) DGAT1CYP2C9PDE4D
SCHEMBL2592530 0.80 HSD17B1 (0.42) HSD17B1MAOBTUBB4ATUBBTUBA3C
SCHEMBL2593092 0.80 HSD17B1 (0.43) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2591222 0.79 HSD17B1 (0.46) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2593669 0.78 HSD17B1 (0.42) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2591082 0.78 HSD17B1 (0.44) HSD17B1MAOBTUBB4ATUBBTUBA3C
SCHEMBL2588295 0.77 HSD17B1 (0.43) HSD17B1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2593665 0.77 HSD17B1 (0.41) HSD17B1TUBB4ATUBBTUBA3CTUBA1B

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-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed