SCHEMBL6825910

SCHEMBL6825910

CC(C)(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 3/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL6825256 0.98 CYP2C19 (0.38) MEN1KMT2APOLBMAPTGAA
SCHEMBL6822110 0.93 RAB9A (0.41) MAPTALDH1A1RAB9A
SCHEMBL6824826 0.91 RAB9A (0.43) MAPTGAAALDH1A1LMNATSHR
SCHEMBL6825367 0.90 CYP2C19 (0.37) MEN1KMT2APOLBMAPTGAA
SCHEMBL6822139 0.90 KMT2A (0.51) MEN1KMT2APOLBMAPTGAA
SCHEMBL6827632 0.89 TAS1R3 (0.44) MEN1KMT2APOLBMAPTLMNA
SCHEMBL6825361 0.88 ALDH1A1 (0.41) MEN1KMT2APOLBMAPTGAA
SCHEMBL6825396 0.88 KMT2A (0.51) MEN1KMT2APOLBMAPTGAA
SCHEMBL6822309 0.87 TAS1R3 (0.47) POLBCYP2C19RAB9A
SCHEMBL6822382 0.86 ALDH1A1 (0.41) MEN1KMT2APOLBMAPTGAA

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