SCHEMBL8584095

SCHEMBL8584095

CC(N)C(=O)NC(C)C(=O)Nc1ccccc1OC1c2ccccc2CC[C@@]1(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
GHSR Q92847 1/20 0.33
XIAP P98170 3/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KDM1A O60341 1/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
IDO1 P14902 1/20 0.30
EPHX2 P34913 1/20 0.30
SCN9A Q15858 1/20 0.30
ATM Q13315 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
SCHEMBL8580657 0.87 GAA (0.36) KMT2ASCN9AATM
SCHEMBL31232485 0.78 SLC6A2 (0.46) GHSRKDM1ALMNADPP8DPP9
SCHEMBL30579791 0.75 GHSR (0.36) GHSRKDM1ALMNAMAPTDPP8
SCHEMBL8584168 0.74 BUB1 (0.32) GHSRSCN9A
SCHEMBL8997716 0.74 GHSR (0.33) GHSRPRMT5WDR77LMNAL3MBTL1
SCHEMBL8997695 0.69 P2RY1 (0.37)
SCHEMBL8581721 0.68 GHSR (0.48) KMT2AGHSRXIAPPRMT5WDR77
SCHEMBL8997591 0.67 GHSR (0.36) KMT2AGHSRLMNAATM
SCHEMBL8613152 0.67 GHSR (0.36) KMT2AGHSRLMNAATM
SCHEMBL9874570 0.65 GHSR (0.43) GHSRKDM1ADPP8DPP9IDO1

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-5837807-A DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS HOFFMANN-LA ROCHE INC. (US) 1998-11-17 US disclosed