SCHEMBL8410322

SCHEMBL8410322

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
ATM Q13315 1/20 0.49
CTSL P07711 4/20 0.48
CTSS P25774 4/20 0.48
CTSK P43235 4/20 0.47
CTSB P07858 3/20 0.47
SYK P43405 1/20 0.47
PRTN3 P24158 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CTRB1 P17538 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL12906609 0.84 ATM (0.61) ELANEATMCTSLCTSSCTSK
SCHEMBL7202123 0.83 ATM (0.54) ELANEATMCTSLCTSSCTSK
SCHEMBL7202125 0.83 ATM (0.54) ELANEATMCTSLCTSSCTSK
SCHEMBL2391978 0.82 ATM (0.52) ELANEATMCTSLCTSSCTSK
SCHEMBL3221956 0.82 CTSL (0.52) ELANEATMCTSLCTSSCTSK
SCHEMBL3221965 0.82 CTSL (0.52) ELANEATMCTSLCTSSCTSK
SCHEMBL2580714 0.82 CTSL (0.52) ELANEATMCTSLCTSSCTSK
SCHEMBL7373971 0.82 CTSL (0.52) ELANEATMCTSLCTSSCTSK
Water SCHEMBL20854852 0.81 CTSL (0.54) ELANEATMCTSLCTSSCTSK
SCHEMBL5704553 0.80 CTSL (0.53) ELANEATMCTSLCTSSCTSK

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
US-5939527-A SYNTHETIC OLIGOPEPTIDE WITH BIOLOGICAL ACTIVITY OF DOLASTATIN FROM SEA HARE BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
US-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed