SCHEMBL4735697

SCHEMBL4735697

COC(=O)c1ccc(C2CCN(C(=O)c3ccc(C)c(N)c3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
FASN P49327 13/20 0.50
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
RBP4 P02753 1/20 0.46
HSD11B1 P28845 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PARP10 Q53GL7 1/20 0.45

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
SCHEMBL4731334 0.88 FASN (0.63) LMNAFASNALDH1A1HPGDHSD11B1
SCHEMBL14209216 0.88 ALDH1A1 (0.52) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4733674 0.88 ALDH1A1 (0.52) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4175647 0.87 PARP10 (0.56) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4191753 0.86 PARP10 (0.58) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4197739 0.86 FASN (0.61) FASNALDH1A1HPGDTP53MAPT
SCHEMBL16799271 0.86 HPGD (0.50) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4735211 0.85 CA12 (0.58) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4195205 0.84 ALDH1A1 (0.48) LMNAFASNALDH1A1HPGDTP53
SCHEMBL4183575 0.83 CA12 (0.53) LMNAFASNALDH1A1HPGDTP53

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