SCHEMBL9713340

SCHEMBL9713340

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

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.67
CTSS P25774 4/20 0.67
CTSK P43235 4/20 0.56
CTSB P07858 3/20 0.56
ATM Q13315 1/20 0.54
ECE1 P42892 2/20 0.54
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CTRB1 P17538 2/20 0.51
ELANE P08246 1/20 0.51
MME P08473 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.50

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
SCHEMBL10848448 1.00 CTSL (0.67) CTSLCTSSCTSKCTSBATM
SCHEMBL9383939 1.00 CTSL (0.67) CTSLCTSSCTSKCTSBATM
SCHEMBL10572092 1.00 CTSL (0.67) CTSLCTSSCTSKCTSBATM
Water SCHEMBL10848660 0.99 CTSS (0.69) CTSLCTSSCTSKCTSBATM
SCHEMBL10840026 0.95 CTSL (0.61) CTSLCTSSCTSKCTSBATM
SCHEMBL10840325 0.95 CTSL (0.61) CTSLCTSSCTSKCTSBATM
SCHEMBL10840321 0.95 CTSL (0.61) CTSLCTSSCTSKCTSBATM
SCHEMBL7331078 0.90 ECE1 (0.64) CTSLCTSSCTSKCTSBATM
SCHEMBL13973861 0.90 ECE1 (0.64) CTSLCTSSCTSKCTSBATM
SCHEMBL7305552 0.90 ECE1 (0.64) CTSLCTSSCTSKCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253190-B1 PARTIALLY RETRO-INVERTED TUFTSIN ANALOGUES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ENIRICERCHE S.p.A. (IT) 1992-12-30 EP disclosed
US-4816560-A STORAGE STABILITY ENIRICERCHE S.P.A. (IT) 1989-03-28 US disclosed
EP-0253190-A2 Partially retro-inverted tuftsin analogues, method for the preparation thereof and pharmaceutical compositions containing them ENIRICERCHE S.p.A. (IT) 1988-01-20 EP disclosed