SCHEMBL1665111

SCHEMBL1665111

CC(C)(C)C(=O)c1ccc(C([O])=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
ELANE P08246 3/20 0.38
CA2 P00918 1/20 0.38
HDAC1 Q13547 1/20 0.35
CES1 P23141 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRD5A2 P31213 1/20 0.34
MLYCD O95822 5/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10031827 0.89 PGR (0.47) PGRARELANECA2HDAC1
SCHEMBL15745797 0.82 PGR (0.51) PGRARELANECA2L3MBTL1
SCHEMBL5058744 0.82 PGR (0.43) PGRARELANECA2HDAC1
SCHEMBL10483771 0.82 ELANE (0.54) PGRARELANESRD5A2ALDH1A1
SCHEMBL11823338 0.80 MAPT (0.50) PGRARL3MBTL1ALDH1A1MAPK1
SCHEMBL759623 0.80 ESR1 (0.52) ARELANECA2SRD5A2MAPK1
SCHEMBL11437940 0.80 PGR (0.42) PGRARELANECA2HDAC1
SCHEMBL1665113 0.80 TSHR (0.60) CA2CES1SRD5A2ALDH1A1TSHR
SCHEMBL1701967 0.80 CA2 (0.57) CA2HDAC1CES1SRD5A2ALDH1A1
SCHEMBL24354428 0.78 TPMT (0.52) PGRARELANECA2

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-7922947-B2 Method of producing dispersion FUJIFILM CORPORATION (JP) 2011-04-12 US disclosed
US-7359017-B2 Optical compensation film, polarizing plate, displaying apparatus, method for producing optical compensation film and method for producing polarizing plate KONICA MINOLTA OPTO, INC. (JP) 2008-04-15 US disclosed
US-20050233095-A1 Optical compensation film, polarizing plate, displaying apparatus, method for producing optical compensation film and method for producing polarizing plate KONICA MINOLTA OPTO, INC. 2005-10-20 US disclosed
US-20050062193-A1 Method of producing dispersion FUJIFILM CORPORATION (JP) 2005-03-24 US disclosed