SCHEMBL9977599

SCHEMBL9977599

COC(=O)C(C=O)C/C=C(/CCC(C)(C)[Si](C)(C)O)c1ccc(F)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
LMNA P02545 2/20 0.33
NOS3 P29474 5/20 0.32
NOS1 P29475 5/20 0.32
NOS2 P35228 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL9977595 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3LMNANOS3
SCHEMBL9977567 0.88 ADRB2 (0.36) ADRB2ADRB1ADRB3LMNANOS3
SCHEMBL9977600 0.86 ADRB2 (0.34) ADRB2ADRB1ADRB3LMNANOS3
SCHEMBL9977609 0.86 ADRB2 (0.34) ADRB2ADRB1ADRB3LMNANOS3
SCHEMBL9977601 0.79 CXCR1 (0.36) ADRB2ADRB1ADRB3LMNASMN1; SMN2
SCHEMBL9977596 0.79 CXCR1 (0.36) ADRB2ADRB1ADRB3LMNASMN1; SMN2
SCHEMBL9977573 0.76 MAPT (0.37) LMNASMN1; SMN2
SCHEMBL15417850 0.76 MAPT (0.37) LMNASMN1; SMN2
SCHEMBL9977545 0.76 PTGS1 (0.34)
SCHEMBL9977571 0.76 PTGS1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465847-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2012-06-20 EP disclosed