SCHEMBL11049388

SCHEMBL11049388

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.59
CTSS P25774 4/20 0.59
CTSL P07711 3/20 0.59
CTSB P07858 2/20 0.59
ATM Q13315 1/20 0.58
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
CTRB1 P17538 2/20 0.55
ELANE P08246 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52

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
SCHEMBL9434411 1.00 CTSK (0.59) CTSKCTSSCTSLCTSBATM
SCHEMBL241564 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL15080869 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL241565 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL856196 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL30946598 0.87 CTSK (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL17943838 0.87 CTSL (0.65) CTSKCTSSCTSLCTSB
Hydrochloric Acid SCHEMBL7400995 0.86 CTSK (0.60) CTSKCTSSCTSLCTSBATM
SCHEMBL5412160 0.86 MAPT (0.61) CTSKCTSSCTSLCTSBATM
SCHEMBL13503291 0.86 CTSK (0.60) CTSKCTSSCTSLCTSBATM

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-4465844-A PEPTIDE, GERMICIDE, DISINFECTANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-08-14 US disclosed
US-4436918-A FROM A 2,5-DIOXOPYRROLIDINE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-03-13 US disclosed