SCHEMBL25798355

SCHEMBL25798355

C=CC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CTSK P43235 10/20 0.40
CTSS P25774 5/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CTSL P07711 2/20 0.37
KLK5 Q9Y337 1/20 0.37
CTSB P07858 1/20 0.37
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL19114277 0.89 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL25363671 0.87 PPARA (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL25363674 0.87 PPARA (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL20312918 0.86 CYP1A2 (0.42) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL12205399 0.82 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL10053456 0.82 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18109374 0.82 CYP1A2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18109376 0.82 CYP1A2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL14264335 0.82 CTSK (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1645174 0.82 SMN1; SMN2 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2023122945-A1 CYCLIC POLYPEPTIDE COMPOUNDS AND USES THEREOF 知和(山东)大药厂有限公司 2023-07-06 WO disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed