SCHEMBL9437152

SCHEMBL9437152

CCC(C)COC(=O)c1ccc(O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA7 P43166 4/20 0.49
CA9 Q16790 4/20 0.49
CA14 Q9ULX7 4/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PTPN1 P18031 1/20 0.49
HSD17B2 P37059 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ESR1 P03372 4/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL9626577 1.00 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL11018113 0.83 PTPN1 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL7130328 0.83 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL7130331 0.83 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL9483132 0.83 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL9779619 0.83 FFAR1 (0.44) MAPTCA12CA1CA2CA7
SCHEMBL9779342 0.83 FFAR1 (0.44) MAPTCA12CA1CA2CA7
SCHEMBL1355432 0.82 PTPN1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL661487 0.82 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL5368475 0.81 MAPT (0.86) MAPTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312564-A Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same CHISSO CORPORATION (JP) 1994-05-17 US disclosed
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
US-4780242-A BIPHENYL ESTERS CHISSO CORPORATION (JP) 1988-10-25 US disclosed
EP-0197677-A2 Halogen-containing, optically active liquid crystal compound and liquid crystal composition containing same Chisso Corporation (JP) 1986-10-15 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed