SCHEMBL10487576

SCHEMBL10487576

C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)O)c1ccc2c(c1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
CTSL P07711 4/20 0.48
CTSB P07858 4/20 0.48
CTSS P25774 4/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
PREP P48147 2/20 0.43
CYP1A2 P05177 1/20 0.42
ATM Q13315 1/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
LGMN Q99538 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
SCHEMBL10487553 0.91 CTSK (0.46) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10493760 0.89 CTSK (0.44) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10658290 0.84 CTSK (0.59) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487543 0.82 CTSK (0.55) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10493796 0.79 ACE (0.49) MEN1LMNAKMT2ACYP3A4
SCHEMBL7626284 0.78 F2 (0.50) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10969044 0.78 CTSK (0.52) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7618770 0.75 LGMN (0.48) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10487552 0.75 RXRA (0.44)
SCHEMBL20323002 0.75 MEN1 (0.69) CTSKCTSLCTSBCTSSMEN1

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-4820729-A N-substituted-amido-amino acids RORER PHARMACEUTICAL CORPORATION (US) 1989-04-11 US disclosed