SCHEMBL7028316

SCHEMBL7028316

CC(Nc1ccccc1C(=O)N1CCOCC1)C(=O)N[C@H](C=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CTSL P07711 4/20 0.49
KMT2A Q03164 1/20 0.47
CTSS P25774 5/20 0.47
CTSB P07858 4/20 0.47
CTSK P43235 2/20 0.47
CTSH P09668 1/20 0.47
CTSC P53634 1/20 0.47
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 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
SCHEMBL8690337 0.81 ALDH1A1 (0.47) TSHRALDH1A1CTSLKMT2ACTSS
SCHEMBL7445242 0.77 KMT2A (0.59) TSHRALDH1A1KMT2AGAALMNA
SCHEMBL7028324 0.76 CTSL (0.51) TSHRALDH1A1CTSLKMT2ACTSS
SCHEMBL7024515 0.76 CTSS (0.75) CTSLCTSSCTSBCTSKCTSH
SCHEMBL7024509 0.76 CTSS (0.75) CTSLCTSSCTSBCTSKCTSH
SCHEMBL7026009 0.76 CTSS (0.75) CTSLCTSSCTSBCTSKCTSH
SCHEMBL7025999 0.76 CTSS (0.75) CTSLCTSSCTSBCTSKCTSH
SCHEMBL7383287 0.76 L3MBTL1 (0.42) TSHRCTSLCTSBLMNA
SCHEMBL7400048 0.75 TGM2 (0.42) CTSLKMT2A
SCHEMBL7026935 0.75 CTSL (0.77) CTSLCTSSCTSBCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 WO disclosed