SCHEMBL7904211

SCHEMBL7904211

CC(C)(C)C(c1ccccc1)[C@H](N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
DPP4 P27487 2/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC1A2 P43004 3/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A1 P43005 2/20 0.42
ALOX5 P09917 1/20 0.42
SLC7A5 Q01650 1/20 0.41
KIF11 P52732 1/20 0.40

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
Hydrochloric Acid SCHEMBL427902 0.98 SLC6A2 (0.42) CYP2D6SRCDPP4ATML3MBTL1
SCHEMBL8332384 0.87 LMNA (0.40) CYP2D6SRCDPP4ATML3MBTL1
SCHEMBL8332386 0.87 LMNA (0.40) CYP2D6SRCDPP4ATML3MBTL1
SCHEMBL7899034 0.85 BLM (0.45) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL10656849 0.85 BLM (0.45) CYP2D6SRCLMNASLC1A2SLC1A3
SCHEMBL6022367 0.81 CYP2D6 (0.43) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL503603 0.81 CYP2D6 (0.43) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL503566 0.81 CYP2D6 (0.43) CYP2D6SRCDPP4LMNAMAPK1
Hydrochloric Acid SCHEMBL28324487 0.79 CYP2D6 (0.42) CYP2D6SRCDPP4LMNAMAPK1
SCHEMBL29185562 0.78 LMNA (0.48) CYP2D6SRCATML3MBTL1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-6140100-A CONJUGATE POLYPEPTIDE WHICH IS TISSUE PREFERENTIAL; ANTICARCINOGENIC AGENTS GLAXO WELLCOME INC. (US) 2000-10-31 US disclosed
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed