SCHEMBL1577536

SCHEMBL1577536

CC(C)(C)OC(=O)[C@@H]1CC1(F)Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
PPARA Q07869 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
EPHX2 P34913 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL5078529 1.00 MAPK1 (0.38) MAPK1MEN1KMT2ALMNACYP2C9
SCHEMBL1706674 0.83 MAPK1 (0.40) MAPK1MEN1KMT2ALMNACYP2C9
SCHEMBL5077796 0.78 MAPK1 (0.37) MAPK1MEN1KMT2ALMNACYP2C9
SCHEMBL1578050 0.77
SCHEMBL295935 0.77 MAPK1 (0.41) MAPK1MEN1KMT2AHRH3EPHX2
SCHEMBL3358594 0.77
SCHEMBL8466617 0.76 DGAT1 (0.38) MAPK1MEN1KMT2AEPHX2
SCHEMBL1577514 0.73 MAPT (0.39) MEN1KMT2ALMNACYP2C9
SCHEMBL1690170 0.73 HRH3 (0.41) MAPK1MEN1KMT2AHRH3EPHX2
SCHEMBL7189787 0.73 MAPT (0.39) MEN1KMT2ALMNACYP2C9

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-8409831-B2 Method for producing (1S,2R)-2-chloro-2-fluorocyclopropanecarboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-02 US disclosed
EP-2311974-B1 PROCESS FOR PRODUCING (1S,2R)-2-CHLORO-2-FLUOROCYCLOPROPANECARBOXYLIC ACID SUMITOMO CHEMICAL CO (JP) 2012-12-19 EP disclosed
US-20110117616-A1 METHOD FOR PRODUCING (1S,2R)-2-CHLORO-2-FLUOROCYCLOPROPANECARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 US disclosed
EP-2311974-A1 METHOD FOR PRODUCING (1S,2R)-2-CHLORO-2-FLUOROCYCLOPROPANECARBOXYLIC ACID Sumitomo Chemical Company, Limited (JP) 2011-04-20 EP disclosed