SCHEMBL11528814

SCHEMBL11528814

CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(O)c(Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 7/20 0.41
KMT2A Q03164 6/20 0.41
MAPK1 P28482 5/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ACACB O00763 1/20 0.39
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
UBE2N P61088 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.34
MITF O75030 1/20 0.34
RAD52 P43351 2/20 0.34
STAT3 P40763 1/20 0.34
RCE1 Q9Y256 1/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
NOD2 Q9HC29 1/20 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
SCHEMBL7704204 0.94 NPSR1 (0.40) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11754837 0.90 NPSR1 (0.40) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11421800 0.89 MAPK1 (0.39) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11647481 0.88 MAPK1 (0.37) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11877719 0.88 NPSR1 (0.41) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL3429177 0.87 KMT2A (0.39) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11757359 0.87 MAPK1 (0.38) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL8075435 0.86 MAPK1 (0.39) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL11513749 0.86 ACACB (0.37) NPSR1KMT2AMAPK1MEN1SMN1; SMN2
SCHEMBL9814162 0.86 KMT2A (0.40) NPSR1KMT2AMAPK1MEN1SMN1; SMN2

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
US-4134770-A VINYLSULFONYLPROPIONYL COMPOUNDS MITSUBISHI PAPER MILLS, LTD. (JP) 1979-01-16 US disclosed