SCHEMBL9549836

SCHEMBL9549836

COC(=O)c1ccc(OC2(F)C(F)(F)C(F)(F)C2(F)Oc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
MAPT P10636 6/20 0.53
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA7 P43166 1/20 0.50
STS P08842 1/20 0.49
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL18337792 0.79 CA1 (0.50) CA1CA2CA12CA9CA14
SCHEMBL9171497 0.78 ALDH1A1 (0.37) CA1CA2MAPTKMT2ARAB9A
SCHEMBL9500742 0.76 CA1 (0.55) CA1CA2MAPTCA12CA9
SCHEMBL23600 0.76 CA1 (0.80) CA1CA2MAPTCA12CA9
SCHEMBL28993944 0.76 CA1 (0.80) CA1CA2MAPTCA12CA9
SCHEMBL22680966 0.75 LMNA (0.54) CA1CA2MAPTCA12CA9
SCHEMBL22680969 0.75 ELANE (0.53) TDP1STSKMT2AMEN1ALDH1A1
Methyl 4-Methoxybenzoate SCHEMBL231243 0.74 CA1 (1.00) CA1CA2MAPTCA12CA9
SCHEMBL9169598 0.74 CA1 (0.52) CA1CA2MAPTCA12CA9
SCHEMBL69218 0.74 CA1 (0.75) CA1CA2MAPTCA12CA9

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-5210265-A Multistage reaction to form monomers for polymers such as polyesters by dimerization of trifluorovinyl compounds by dehalogenation and cyclization THE DOW CHEMICAL COMPANY (US) 1993-05-11 US disclosed
EP-0429618-A1 REACTIVE COMPOUNDS CONTAINING PERFLUOROCYCLOBUTANE RINGS THE DOW CHEMICAL COMPANY (US) 1991-06-05 EP disclosed
US-5021602-A Monomers for condensation polymers THE DOW CHEMICAL COMPANY (US) 1991-06-04 US disclosed
WO-1990015044-A2 REACTIVE COMPOUNDS CONTAINING PERFLUOROCYCLOBUTANE RINGS THE DOW CHEMICAL COMPANY (US) 1990-12-13 WO disclosed