SCHEMBL9626744

SCHEMBL9626744

CC[C@H](C)COC(=O)c1ccc(-c2ccc(O)c(F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP17A1 P05093 2/20 0.45
PTPN1 P18031 1/20 0.45
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40

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
SCHEMBL10586688 1.00 MAPT (0.58) MAPTKDM4ELMNAHSD17B10CYP17A1
SCHEMBL7130331 0.89 MAPT (0.60) MAPTKDM4EPTPN1HSD17B2CA12
SCHEMBL7130328 0.89 MAPT (0.60) MAPTKDM4EPTPN1HSD17B2CA12
SCHEMBL9483132 0.89 MAPT (0.60) MAPTKDM4EPTPN1HSD17B2CA12
SCHEMBL25954197 0.89 MAPT (0.52) MAPTKDM4ELMNAHSD17B10PTPN1
SCHEMBL8956806 0.85 MAPT (0.78) MAPTKDM4ELMNAHSD17B10CA12
SCHEMBL9493542 0.85 MAPT (0.78) MAPTKDM4ELMNAHSD17B10CA12
SCHEMBL9493539 0.85 MAPT (0.78) MAPTKDM4ELMNAHSD17B10CA12
SCHEMBL6939271 0.84 CA12 (0.59) MAPTKDM4ELMNAHSD17B10CYP17A1
SCHEMBL8377627 0.82 MAPT (0.69) MAPTKDM4ELMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62181239-A None JP 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
JP-S62181239-A LIQUID CRYSTAL COMPOUND DAINIPPON INK & CHEM INC 1987-08-08 JP disclosed