SCHEMBL6825428

SCHEMBL6825428

CC(C)(CNC(=O)Nc1ccc(N2CCOCC2)c(F)c1)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
HTT P42858 2/20 0.40
NPY2R P49146 1/20 0.40
MAPT P10636 2/20 0.40
MTOR P42345 4/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
THRB P10828 1/20 0.37
ACP1 P24666 1/20 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
SCHEMBL7064641 0.94 NPY2R (0.41) S1PR1L3MBTL1NPC1RAB9ANPY2R
SCHEMBL6822317 0.93 NPY2R (0.41) S1PR1L3MBTL1NPY2RMAPTKMT2A
SCHEMBL7068596 0.92 ALDH1A1 (0.47) L3MBTL1NPC1RAB9AHTTMAPT
SCHEMBL6822147 0.86 SMN1; SMN2 (0.41) L3MBTL1NPC1RAB9AALDH1A1KMT2A
SCHEMBL6825423 0.83 S1PR1 (0.44) S1PR1L3MBTL1NPC1RAB9ALDHA
SCHEMBL6825458 0.82 KLK7 (0.39) NPC1RAB9AHTTMAPTKMT2A
SCHEMBL7064914 0.82 POLB (0.39) L3MBTL1MAPTALDH1A1LMNAHPGD
SCHEMBL7068433 0.81 POLB (0.38) L3MBTL1MAPTALDH1A1KMT2ALMNA
SCHEMBL6825283 0.81 KMT2A (0.42) NPC1RAB9AMTORKMT2A
SCHEMBL6822393 0.81 SLC6A9 (0.42)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed