SCHEMBL6567606

SCHEMBL6567606

CC(C)(C)CC(=O)Nc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 1/20 0.48
ADORA2A P29274 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 3/20 0.45
DHODH Q02127 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPY1R P25929 1/20 0.44

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
SCHEMBL1947815 0.83 HPGD (0.62) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL16150319 0.80 CYP3A4 (0.66) MEN1KMT2ARAB9AMAPTGAA
SCHEMBL22693561 0.79 S1PR2 (0.56) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL6226646 0.79 KDM4E (0.45) HPGDMEN1KMT2AMAPTGAA
SCHEMBL8415139 0.77 MEN1 (0.62) HPGDMEN1KMT2AMAPTGAA
SCHEMBL23518545 0.77 L3MBTL1 (0.57) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL9402610 0.77 GAA (0.59) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL13139888 0.77 HPGD (0.56) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL27664708 0.76 ADORA2A (0.60) L3MBTL1HPGDMEN1KMT2ARAB9A
SCHEMBL23518443 0.75 RAB9A (0.76) L3MBTL1HPGDMEN1KMT2ARAB9A

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