SCHEMBL27399561

SCHEMBL27399561

CCN(CC)C(=O)CC(c1ccccc1)c1cccc(CN)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
GLA P06280 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
TACR1 P25103 5/20 0.44
CYP2D6 P10635 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL11385152 0.84 HPGD (0.71) HPGDGLARECQLL3MBTL1NPSR1
SCHEMBL9154048 0.82 HPGD (0.58) HPGDGLARECQLL3MBTL1NPSR1
SCHEMBL27534942 0.81 GABBR2 (0.50) KMT2ATSHRCYP2D6LMNASMN1; SMN2
SCHEMBL5685200 0.77 HPGD (0.57) HPGDGLARECQLL3MBTL1NPSR1
SCHEMBL27372093 0.75 SLC7A5 (0.41) KMT2AALDH1A1MAPTTSHRTACR1
SCHEMBL30530340 0.71 TRPM8 (0.68) HPGDGLARECQLL3MBTL1NPSR1
SCHEMBL1666938 0.71 AKR1C3 (0.47) ALDH1A1SMN1; SMN2POLB
SCHEMBL27640013 0.70 PTGS2 (0.54) HPGDRECQLALDH1A1MAPTLTB4R
SCHEMBL28229181 0.70 CYP2D6 (0.44) KMT2AMEN1ALDH1A1TSHRCYP2D6
SCHEMBL28225086 0.70 MMP8 (0.48) L3MBTL1KMT2AMEN1ALDH1A1TSHR

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
CN-1082041-A The phenylpropionic acid of imidazolyl-replacement and cinnamic acid derivative BAYER AG (DE) 1994-02-16 CN disclosed