SCHEMBL10487578

SCHEMBL10487578

C[C@H](NC(=O)OCc1ccccc1)C(=O)N(CC(=O)OCc1ccccc1)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 3/20 0.53
CTSS P25774 3/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 1/20 0.50
PREP P48147 2/20 0.49
CYP3A4 P08684 4/20 0.45
TSHR P16473 4/20 0.45
ATM Q13315 1/20 0.44
CCKBR P32239 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ELANE P08246 1/20 0.43

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
SCHEMBL10795035 0.95 CTSK (0.50) CTSKCTSLCTSBCTSSMEN1
SCHEMBL11130209 0.94 CTSK (0.49) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10790451 0.92 CTSK (0.54) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10658214 0.91 CTSK (0.53) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7331321 0.85 ELANE (0.56) CTSKCTSLCTSBCTSSELANE
SCHEMBL7332393 0.84 ELANE (0.56) CTSKCTSLCTSBCTSSELANE
SCHEMBL7330509 0.82 CTSK (0.55) CTSKCTSLCTSBCTSSMEN1
SCHEMBL10790212 0.81 REN (0.44) CTSKCTSLCTSBCTSSMEN1
SCHEMBL11119431 0.81 CTSK (0.47) CTSKCTSLCTSBCTSSMEN1
SCHEMBL7431398 0.81 ELANE (0.51) CTSKCTSLCTSBCTSSELANE

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