SCHEMBL6405622

SCHEMBL6405622

CCC(C)(C)c1ccc(C(C)(C)CC)c(OCCCN[C]=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
NPSR1 Q6W5P4 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 4/20 0.43
UBE2N P61088 2/20 0.43
GLA P06280 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 5/20 0.41
RAD52 P43351 2/20 0.39
RAB9A P51151 2/20 0.39
STAT3 P40763 1/20 0.39
RCE1 Q9Y256 1/20 0.39
APAF1 O14727 1/20 0.39
HSP90AA1 P07900 1/20 0.39
NOD2 Q9HC29 1/20 0.39
RRM1 P23921 1/20 0.36
LMNA P02545 4/20 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
SCHEMBL9435739 0.96 MAPK1 (0.45) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL1081181 0.90 MAPK1 (0.54) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL77092 0.86 MAPK1 (0.56) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL6405628 0.82 MAPK1 (0.43) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5147880 0.80 MAPK1 (0.43) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5666258 0.79 MAPK1 (0.49) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5143964 0.79 MAPK1 (0.49) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9769966 0.79 L3MBTL1 (0.40) MAPK1NPSR1MEN1KMT2AHTT
SCHEMBL8765578 0.79 MAPK1 (0.48) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL6702685 0.78 MAPK1 (0.48) MAPK1SMN1; SMN2NPSR1MEN1KMT2A

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
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed