SCHEMBL27482758

SCHEMBL27482758

CCC(=O)OCC1CCCC1c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 10/20 0.41
▸ TP53 P04637 9/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR2B P41595 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38

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
SCHEMBL27467155 0.88 MDM2 (0.40) MDM2TP53HTR2AHTR2CHTR2B
SCHEMBL27466722 0.85 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL27466734 0.78 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27466725 0.78 KMT2A (0.45) MDM2ALDH1A1HDAC8HDAC6HDAC1
SCHEMBL27466733 0.78 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27480883 0.77 HDAC8 (0.51) ALDH1A1HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27466732 0.74 HDAC8 (0.41) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27504948 0.74 HDAC8 (0.38) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL27483135 0.72 HDAC8 (0.41) HDAC8HDAC6HDAC1SLC6A3
SCHEMBL9781187 0.72 HTR2A (0.55) MDM2TP53HTR2AHTR2CHTR2B

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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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