SCHEMBL9977571

SCHEMBL9977571

CC(C)(CC/C(=C/CO)c1ccc(F)cc1)[Si](C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
HTR7 P34969 1/20 0.30
TRPA1 O75762 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL9977545 1.00 PTGS1 (0.34) PTGS1PTGS2FNTAFNTBHTR7
SCHEMBL9977568 0.87 PTGS1 (0.33) PTGS1PTGS2FNTAFNTB
SCHEMBL9977551 0.87 PTGS1 (0.33) PTGS1PTGS2FNTAFNTB
SCHEMBL9977594 0.83 TBXAS1 (0.37) PTGS1PTGS2FNTAFNTBHTR7
SCHEMBL9977598 0.83 TBXAS1 (0.37) PTGS1PTGS2FNTAFNTBHTR7
SCHEMBL9977570 0.82 HTR7 (0.33) PTGS1PTGS2HTR7NPC1RAB9A
SCHEMBL9977601 0.80 CXCR1 (0.36) FNTAFNTB
SCHEMBL9977596 0.80 CXCR1 (0.36) FNTAFNTB
SCHEMBL9977595 0.78 ADRB2 (0.36)
SCHEMBL9977567 0.78 ADRB2 (0.36)

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-2465847-B1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2016-10-12 EP disclosed
US-8623855-B2 Azetidinone compounds and medical use thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2014-01-07 US disclosed
EP-2465847-A1 AZETIDINONE COMPOUNDS AND MEDICAL USE THEREOF Zhejiang Hisun Pharmaceutical Co. Ltd. (CN) 2012-06-20 EP disclosed