SCHEMBL6673758

SCHEMBL6673758

Cc1c(O)ccc(C[C@@H](C(N)=O)N(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.38
PGR P06401 2/20 0.38
NR3C2 P08235 2/20 0.38
FNTA P49354 5/20 0.33
FNTB P49356 5/20 0.33
HTT P42858 1/20 0.33
TACR1 P25103 1/20 0.32
TYR P14679 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
P4HB P07237 1/20 0.30

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
SCHEMBL6672415 0.86 NR3C1 (0.39) NR3C1PGRNR3C2FNTAFNTB
SCHEMBL5324035 0.72 KDM4E (0.54) FNTAFNTBMAPTMEN1KMT2A
SCHEMBL5324040 0.72 KDM4E (0.54) FNTAFNTBMAPTMEN1KMT2A
SCHEMBL3450569 0.71 NCEH1 (0.34) HTTTACR1MAPTMEN1KMT2A
SCHEMBL7941005 0.71 NCEH1 (0.34) HTTTACR1MAPTMEN1KMT2A
SCHEMBL11593932 0.71 NCEH1 (0.34) HTTTACR1MAPTMEN1KMT2A
SCHEMBL20369507 0.70 SLC7A5 (0.49) MAPTALDH1A1
SCHEMBL10435929 0.70 SLC7A5 (0.49) MAPTALDH1A1
SCHEMBL5767473 0.70 ALDH1A1 (0.44) HTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11591299 0.70 ALDH1A1 (0.36) HTTTACR1MAPTMEN1KMT2A

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-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO claimed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 WO disclosed