SCHEMBL8634476

SCHEMBL8634476

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.57
CTSB P07858 8/20 0.57
CTSS P25774 7/20 0.57
CTSK P43235 7/20 0.57
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL17138238 0.85 CTSL (0.51) CTSLCTSBCTSSCTSKMEN1
SCHEMBL8397220 0.83 ABCB1 (0.45) CTSLCTSBCTSSCTSKLMNA
SCHEMBL7068363 0.80 CTSL (0.52) CTSLCTSBCTSSCTSKMEN1
SCHEMBL5689428 0.80 CTSL (0.66) CTSLCTSBCTSSCTSKMEN1
SCHEMBL6611310 0.77 TRPM8 (0.56) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL15130921 0.77 CTSL (0.72) CTSLCTSBCTSSCTSKMEN1
SCHEMBL3221965 0.77 CTSL (0.52) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL2580714 0.77 CTSL (0.52) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL7373971 0.77 CTSL (0.52) CTSLCTSBCTSSCTSKCYP3A4
SCHEMBL3221956 0.77 CTSL (0.52) CTSLCTSBCTSSCTSKCYP3A4

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-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed