SCHEMBL6822301

SCHEMBL6822301

CC(C)(C)[C@H](NC(=O)Nc1ccccc1F)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 6/20 0.39
MMP3 P08254 3/20 0.39
BMP1 P13497 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 2/20 0.39

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
SCHEMBL6825963 1.00 ALDH1A1 (0.46) ALDH1A1KMT2ANPC1RAB9ATAS1R3
SCHEMBL6822386 0.89 POLB (0.36) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6822309 0.89 TAS1R3 (0.47) NPC1RAB9ATAS1R3TAS1R1MMP2
SCHEMBL6825943 0.89 KMT2A (0.44) ALDH1A1KMT2ANPC1RAB9ATAS1R3
SCHEMBL6825435 0.88 NPC1 (0.43) ALDH1A1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL6822409 0.87 TDP1 (0.46) ALDH1A1KMT2ATAS1R3TAS1R1LMNA
SCHEMBL6827632 0.87 TAS1R3 (0.44) KMT2ANPC1RAB9ATAS1R3TAS1R1
SCHEMBL6825922 0.87 EPHX2 (0.38) LMNAMMP2MMP3BMP1EPHX2
SCHEMBL6824628 0.86 ALDH1A1 (0.44) ALDH1A1KMT2ANPC1RAB9ATAS1R3
SCHEMBL6826086 0.86 MAPT (0.40) ALDH1A1KMT2ANPC1RAB9ALMNA

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