SCHEMBL4741529

SCHEMBL4741529

O=C(O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.70
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
SRD5A2 P31213 1/20 0.46
KDM2B Q8NHM5 2/20 0.45
HSD11B1 P28845 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 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
SCHEMBL4786124 1.00 DGAT1 (0.70) DGAT1LMNAMAPTCES2CES1
SCHEMBL4786121 1.00 DGAT1 (0.70) DGAT1LMNAMAPTCES2CES1
SCHEMBL4893436 0.86 DGAT1 (0.95) DGAT1LMNA
SCHEMBL5446047 0.86 DGAT1 (0.95) DGAT1LMNA
SCHEMBL4885327 0.83 DGAT1 (1.00) DGAT1
SCHEMBL28575018 0.81 MAPT (0.55) DGAT1LMNAMAPTMEN1HPGD
SCHEMBL1855141 0.80 HSD11B1 (0.60) LMNAMAPTCES2CES1SRD5A2
SCHEMBL6399371 0.79 DGAT1 (0.59) DGAT1LMNAMAPTMEN1KMT2A
SCHEMBL6405464 0.79 DGAT1 (0.59) DGAT1LMNAMAPTMEN1KMT2A
SCHEMBL6399369 0.79 DGAT1 (0.59) DGAT1LMNAMAPTMEN1KMT2A

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-2008090357-A2 N, N; -SUBSTITUTED PIPERAZINES BINDING TO MELANOCORTIN RECEPTOR PALATIN TECHNOLOGIES, INC. (US) 2008-07-31 WO disclosed