SCHEMBL6822296

SCHEMBL6822296

COc1ccc(C)cc1NC(=O)NCC(C)(C)CC(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
POLB P06746 1/20 0.41
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL6827634 0.92 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL6822142 0.91 KMT2A (0.49) KMT2APOLBHTTLMNAALDH1A1
SCHEMBL6825402 0.89 ALDH1A1 (0.49) KMT2APOLBHTTLMNAALDH1A1
SCHEMBL6822283 0.89 TDP1 (0.43) KMT2ALMNAPKMALDH1A1MEN1
SCHEMBL6825607 0.88 SMN1; SMN2 (0.38) KMT2APOLBHTTLMNAALDH1A1
SCHEMBL6825114 0.87 NPC1 (0.46) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL6822411 0.87 TDP1 (0.45) KMT2ALMNAPKMALDH1A1MEN1
SCHEMBL7066677 0.86 SMN1; SMN2 (0.38) KMT2APOLBHTTLMNAALDH1A1
SCHEMBL6825416 0.83 KMT2A (0.41) KMT2APOLBCASP3SENP7HTT
SCHEMBL6825496 0.82 ALDH1A1 (0.49) KMT2APOLBHTTLMNAALDH1A1

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