SCHEMBL6568652

SCHEMBL6568652

CCC(C)(C)c1ccc(OCCCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C(C)(C)CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
MAPK1 P28482 5/20 0.48
NPSR1 Q6W5P4 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 7/20 0.45
HTT P42858 3/20 0.45
UBE2N P61088 2/20 0.45
GLA P06280 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 3/20 0.44
HPGD P15428 4/20 0.43
LMNA P02545 4/20 0.43
RAD52 P43351 2/20 0.42
RAB9A P51151 2/20 0.42
STAT3 P40763 1/20 0.42
RCE1 Q9Y256 1/20 0.42
APAF1 O14727 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL11624748 0.85 MEN1 (0.46) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL5675715 0.85 RAB9A (0.48) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL9869042 0.84 MEN1 (0.54) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL8656152 0.84 MAPK1 (0.44) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL9340282 0.83 RAB9A (0.44) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL8616192 0.83 MEN1 (0.46) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL10833283 0.83 MEN1 (0.47) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL9491257 0.82 MEN1 (0.43) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL9550874 0.82 MAPK1 (0.44) MEN1KMT2AMAPK1NPSR1SMN1; SMN2
SCHEMBL7698979 0.81 MEN1 (0.44) MEN1KMT2AMAPK1NPSR1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed