SCHEMBL6822053

SCHEMBL6822053

CC(C)(C)[C@H](NC(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM4 Q14833 5/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
EPHX2 P34913 3/20 0.35
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.35
CCR3 P51677 2/20 0.34
MMP2 P08253 2/20 0.33
MMP3 P08254 1/20 0.33
BMP1 P13497 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL6827613 0.93 P2RY1 (0.43) MEN1KMT2AALDH1A1EPHX2EPHX1
SCHEMBL6825501 0.91 EPHX2 (0.48) MEN1KMT2AALDH1A1EPHX2EPHX1
SCHEMBL6827769 0.90 EPHX2 (0.49) MEN1KMT2AALDH1A1EPHX2EPHX1
SCHEMBL6822392 0.89 SLC6A9 (0.41) MMP2MMP3BMP1
SCHEMBL6825220 0.88 KMT2A (0.42) MEN1KMT2AALDH1A1EPHX2EPHX1
SCHEMBL6825256 0.87 CYP2C19 (0.38) MEN1KMT2AALDH1A1MAPT
SCHEMBL6822141 0.86 RAB9A (0.42) MEN1KMT2AALDH1A1MAPTCCR3
SCHEMBL6824826 0.85 RAB9A (0.43) ALDH1A1MAPT
SCHEMBL6825910 0.85 MEN1 (0.37) MEN1KMT2AALDH1A1MAPT
SCHEMBL6822309 0.85 TAS1R3 (0.47) EPHX2MMP2MMP3BMP1

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 disclosed