SCHEMBL27466725

SCHEMBL27466725

CCC(=O)OCC1CCCC1c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ APOBEC3A P31941 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ VCAM1 P19320 2/20 0.42
▸ POLB P06746 2/20 0.40
▸ HTT P42858 4/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MC4R P32245 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ THRB P10828 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
SCHEMBL27466722 0.79 HDAC8 (0.48) HDAC8HDAC6HDAC1
SCHEMBL27482758 0.78 MDM2 (0.41) ALDH1A1MDM2HDAC8HDAC6HDAC1
SCHEMBL27466734 0.77 HDAC8 (0.38) HDAC8HDAC6HDAC1
SCHEMBL27466733 0.77 HDAC8 (0.38) HDAC8HDAC6HDAC1
SCHEMBL27480883 0.74 HDAC8 (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL27466726 0.73 KMT2A (0.44) KMT2AMEN1APOBEC3AAPOBEC3GMAPT
SCHEMBL27466732 0.71 HDAC8 (0.41) HDAC8HDAC6HDAC1
SCHEMBL27504948 0.71 HDAC8 (0.38) HDAC8HDAC6HDAC1L3MBTL1
SCHEMBL9513694 0.69 VCAM1 (0.51) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL731001 0.68 IDO1 (0.62) MAPTALDH1A1LMNAVCAM1MAPK1

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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