SCHEMBL6825943

SCHEMBL6825943

CCc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MMP2 P08253 7/20 0.39
MMP3 P08254 4/20 0.39
BMP1 P13497 1/20 0.39
NPC1 O15118 1/20 0.37

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 0.89 ALDH1A1 (0.46) KMT2AALDH1A1TAS1R3TAS1R1MMP2
SCHEMBL6822301 0.89 ALDH1A1 (0.46) KMT2AALDH1A1TAS1R3TAS1R1MMP2
SCHEMBL6822309 0.89 TAS1R3 (0.47) POLBTAS1R3TAS1R1MMP2MMP3
SCHEMBL6825435 0.88 NPC1 (0.43) ALDH1A1MMP2MMP3BMP1NPC1
SCHEMBL6822125 0.88 KMT2A (0.46) KMT2APOLBALDH1A1NPC1RAB9A
SCHEMBL6822409 0.87 TDP1 (0.46) KMT2AALDH1A1TAS1R3TAS1R1MMP2
SCHEMBL6827632 0.87 TAS1R3 (0.44) KMT2APOLBTAS1R3TAS1R1MMP2
SCHEMBL6826086 0.86 MAPT (0.40) KMT2AALDH1A1MMP2MMP3BMP1
SCHEMBL6822282 0.85 ANPEP (0.45) KMT2AALDH1A1TAS1R3TAS1R1MEN1
SCHEMBL6825244 0.85 MEN1 (0.41) KMT2ATAS1R3TAS1R1MMP2MMP3

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