SCHEMBL5330947

SCHEMBL5330947

N#CC1(c2ccccc2)CCCCC1c1ccccc1.O=C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
AKR1C1 Q04828 2/20 0.36
LMNA P02545 1/20 0.36
AKR1C3 P42330 1/20 0.36
CTSC P53634 1/20 0.36
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
HPGD P15428 1/20 0.35
HDAC4 P56524 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL7106849 0.88 KDM1A (0.40) DPP4HPGD
SCHEMBL30877933 0.74 AKR1C1 (0.46) AKR1C1LMNAHPGDHDAC4
SCHEMBL30250167 0.73 AKR1C1 (0.47) AKR1C1LMNAAKR1C3HPGDHDAC4
SCHEMBL8861377 0.72 DPP4 (0.40) DPP4AKR1C1LMNACTSCFABP7
SCHEMBL22966038 0.71 SLC6A4 (0.38) DPP4LMNAHSD17B10
SCHEMBL5330943 0.71 ATM (0.39) PDE4BPDE4APDE4CPDE4DAKR1C1
SCHEMBL10727082 0.71 KDM1A (0.38)
SCHEMBL5513492 0.70 MEN1 (0.54) PDE4BPDE4APDE4CPDE4DNPC1
SCHEMBL6596630 0.69 SLC6A9 (0.41) LMNACTSCHPGDHSD17B10
SCHEMBL6230490 0.69 MAOA (0.48)

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-2007037497-A1 OPTICAL COMPENSATORY FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed