SCHEMBL9817595

SCHEMBL9817595

CC(=O)O[C@H]1CCC[C@@H](c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SLC18A3 Q16572 4/20 0.45
POLB P06746 2/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP19A1 P11511 5/20 0.36
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL9817590 1.00 TP53 (0.54) TP53L3MBTL1SLC18A3POLBPKM
SCHEMBL9817586 1.00 TP53 (0.54) TP53L3MBTL1SLC18A3POLBPKM
SCHEMBL6762506 0.77 TP53 (0.62) TP53L3MBTL1TSHRCYP19A1
SCHEMBL16179411 0.77 TP53 (0.62) TP53L3MBTL1TSHRCYP19A1
SCHEMBL4136122 0.74 TP53 (0.52) TP53L3MBTL1POLBTSHRKDM4E
SCHEMBL21558172 0.73 TP53 (0.54) TP53L3MBTL1TSHR
SCHEMBL27173480 0.73 TP53 (0.54) TP53L3MBTL1TSHR
SCHEMBL7274841 0.71 FABP5 (0.57) SLC18A3KDM4EFABP7FABP5
SCHEMBL4059047 0.71 TP53 (0.49) TP53L3MBTL1POLBTSHRKDM4E
SCHEMBL10266701 0.70 TP53 (0.47) TP53L3MBTL1POLBTSHR

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
EP-0457559-A2 Chiral synthesis of 1-aryl-3-aminopropan-1-ols ELI LILLY AND COMPANY (US) 1991-11-21 EP disclosed