SCHEMBL4735855

SCHEMBL4735855

COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(C)cc4)c3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 11/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
PRSS12 P56730 1/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD11B1 P28845 1/20 0.53
NPC1 O15118 1/20 0.50
AHR P35869 1/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL4735653 0.93 HSD11B1 (0.60) FASNMEN1KMT2APRSS12LMNA
SCHEMBL4736480 0.92 FASN (0.68) FASNMEN1KMT2APRSS12LMNA
SCHEMBL4734917 0.91 FASN (0.55) FASNMEN1KMT2APRSS12LMNA
SCHEMBL4737762 0.91 HSD11B1 (0.57) FASNMEN1KMT2APRSS12LMNA
SCHEMBL4734229 0.91 FASN (0.54) FASNMEN1KMT2APRSS12LMNA
SCHEMBL4734340 0.90 FASN (0.53) FASNMEN1KMT2APRSS12HSD11B1
SCHEMBL4734309 0.88 FASN (0.58) FASNMEN1KMT2APRSS12LMNA
SCHEMBL4784787 0.87 PRSS12 (0.55) FASNSMN1; SMN2PRSS12LMNAALDH1A1
SCHEMBL4784416 0.86 FASN (0.63) FASNMEN1KMT2ASMN1; SMN2PRSS12
SCHEMBL4785982 0.86 FASN (0.58) FASNPRSS12LMNAHSD11B1POLB

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
WO-2008059214-A1 BISAMLDE DERIVATIVES AND USE THEREOF AS FATTY ACID SYNTHASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-22 WO disclosed