SCHEMBL9713347

SCHEMBL9713347

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
ATM Q13315 1/20 0.51
CTSK P43235 4/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
CTSB P07858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SLC15A1 P46059 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28380964 1.00 CTSS (0.53) CTSSCTSLATMCTSKCA12
SCHEMBL9487560 1.00 CTSS (0.53) CTSSCTSLATMCTSKCA12
SCHEMBL9487552 1.00 CTSS (0.53) CTSSCTSLATMCTSKCA12
Water SCHEMBL10978142 0.99 CTSS (0.55) CTSSCTSLATMCTSKCA12
SCHEMBL7324724 0.90 SLC15A1 (0.53) CTSSCTSLATMCTSKCA12
SCHEMBL7324719 0.90 SLC15A1 (0.53) CTSSCTSLATMCTSKCA12
SCHEMBL7328660 0.87 LTA4H (0.55) CTSSCTSLATMCTSKCA12
SCHEMBL7328656 0.87 LTA4H (0.55) CTSSCTSLATMCTSKCA12
SCHEMBL10504358 0.84 CA12 (0.47) CTSSCTSLCTSKCA12CA1
SCHEMBL20272571 0.83 CTSK (0.55) CTSSCTSLATMCTSKNPC1

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