SCHEMBL7375534

SCHEMBL7375534

CC(C)(C)OC(=O)C(CCI)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
CTSK P43235 9/20 0.53
CTSS P25774 7/20 0.52
CTSL P07711 5/20 0.52
CTSB P07858 3/20 0.52
PPARA Q07869 1/20 0.50
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
KYNU Q16719 1/20 0.47

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
SCHEMBL7497045 1.00 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL2620361 1.00 SYK (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL18354663 0.94 SYK (0.55) SYKCTSKCTSSCTSLCTSB
SCHEMBL18354600 0.94 SYK (0.55) SYKCTSKCTSSCTSLCTSB
SCHEMBL5639231 0.90 PPARA (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL12305797 0.90 PPARA (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL3873538 0.90 PPARA (0.56) SYKCTSKCTSSCTSLCTSB
SCHEMBL18256464 0.90 SYK (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL6318882 0.90 SYK (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL995705 0.89 SYK (0.57) SYKCTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110857286-B Preparation method of micromolecule yNA with biological activity 上海交通大学 2022-12-09 CN claimed
CN-110857286-A Preparation method of micromolecule yNA with biological activity 上海交通大学 2020-03-03 CN claimed
CN-110857286-B Preparation method of micromolecule yNA with biological activity 上海交通大学 2022-12-09 CN disclosed
CN-110857286-A Preparation method of micromolecule yNA with biological activity 上海交通大学 2020-03-03 CN disclosed
US-6057314-A ANTICOAGULANTS BIOCHEM PHARMA INC. (CA) 2000-05-02 US disclosed
EP-0802916-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC (CA) 1997-10-29 EP disclosed
WO-1996019483-A1 LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS BIOCHEM PHARMA INC. (CA) 1996-06-27 WO disclosed