SCHEMBL16768854

SCHEMBL16768854

CC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.68
▸ CA1 P00915 4/20 0.59
▸ CA2 P00918 4/20 0.59
▸ PTPN1 P18031 2/20 0.57
▸ HPGDS O60760 2/20 0.56
▸ GRIA1 P42261 1/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ P4HB P07237 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.53
▸ CTSB P07858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ACE P12821 2/20 0.51

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
SCHEMBL16523134 0.91 CTSL (0.65) CTSLCA1CA2PTPN1CTSS
SCHEMBL11781402 0.88 HPGDS (0.68) CTSLCA1CA2PTPN1HPGDS
SCHEMBL11425335 0.88 HPGDS (0.68) CTSLCA1CA2PTPN1HPGDS
SCHEMBL5793343 0.88 CA2 (0.69) CTSLCA1CA2PTPN1GRIA1
SCHEMBL3404637 0.88 CA2 (0.69) CTSLCA1CA2PTPN1GRIA1
SCHEMBL8667639 0.88 CA2 (0.69) CTSLCA1CA2PTPN1GRIA1
SCHEMBL3928164 0.86 LNPEP (0.67) CTSLLNPEPACE
Alcohol SCHEMBL19231109 0.86 CTSL (0.65) CTSLCA1CA2PTPN1GRIA1
SCHEMBL3928165 0.86 LNPEP (0.67) CTSLLNPEPACE
SCHEMBL3497780 0.85 PTPN1 (0.72) CTSLCA1CA2PTPN1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9506102-B2 Fluorescent probe for high-sensitivity pancreatic fluid detection, and method for detecting pancreatic fluid THE UNIVERSITY OF TOKYO (JP) 2016-11-29 — — US disclosed
US-9506102-B2 Fluorescent probe for high-sensitivity pancreatic fluid detection, and method for detecting pancreatic fluid THE UNIVERSITY OF TOKYO (JP) 2016-11-29 — — US disclosed
US-20150152469-A1 FLUORESCENT PROBE FOR HIGH-SENSITIVITY PANCREATIC FLUID DETECTION, AND METHOD FOR DETECTING PANCREATIC FLUID THE UNIVERSITY OF TOKYO (JP) 2015-06-04 — — US disclosed
US-20150152469-A1 FLUORESCENT PROBE FOR HIGH-SENSITIVITY PANCREATIC FLUID DETECTION, AND METHOD FOR DETECTING PANCREATIC FLUID THE UNIVERSITY OF TOKYO (JP) 2015-06-04 — — US disclosed
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