SCHEMBL7567342

SCHEMBL7567342

CCCCOC(=O)C(CC)N(C(C)=O)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.40
PPARG P37231 3/20 0.40
PPARA Q07869 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL7573230 0.85 TSHR (0.45) TSHRTDP1L3MBTL1CYP3A4RAB9A
SCHEMBL7571829 0.82 GAA (0.44) PPARGPPARATSHRTDP1L3MBTL1
SCHEMBL8599745 0.82 ESR1 (0.39) TSHRTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL7574293 0.81 LTB4R2 (0.40) TSHRTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL7571050 0.81 LMNA (0.40) TSHRTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL6298631 0.81 PPARG (0.43) PPARGPPARACYP2C19LMNAHPGD
SCHEMBL7569876 0.80 FAAH (0.39) TSHRTDP1L3MBTL1CYP2C19RAB9A
SCHEMBL7571120 0.80 ALDH1A1 (0.39) TSHRTDP1L3MBTL1CYP2C19RAB9A
SCHEMBL7576950 0.80 POLB (0.40) TSHRTDP1L3MBTL1RAB9AHPGD
SCHEMBL7573703 0.78 LTB4R2 (0.44) PPARGPPARAHPGDPOLBALDH1A1

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-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed