SCHEMBL10758630

SCHEMBL10758630

CCOC(=O)CC[C@H](NC(=O)c1ccc(CCBr)cc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ DHFR P00374 3/20 0.44
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41

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
SCHEMBL9539335 0.90 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9539332 0.90 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27584197 0.89 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7571102 0.86 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6312460 0.85 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6308152 0.85 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6308156 0.85 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9383025 0.85 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9383029 0.85 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28410876 0.85 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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
US-4684653-A ANTITUMOR AGENTS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1987-08-04 — — US disclosed
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