SCHEMBL7130331

SCHEMBL7130331

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 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
SNCA P37840 1/20 0.42
ESR1 P03372 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SERPINE1 P05121 1/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41

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
SCHEMBL7130328 1.00 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL9483132 1.00 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL10586688 0.89 MAPT (0.58) MAPTCA12CA1CA2CA7
SCHEMBL9626744 0.89 MAPT (0.58) MAPTCA12CA1CA2CA7
SCHEMBL25954197 0.89 MAPT (0.52) MAPTCA12CA1CA2CA7
SCHEMBL9437152 0.83 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL9626577 0.83 MAPT (0.60) MAPTCA12CA1CA2CA7
SCHEMBL184993 0.82 CA12 (0.72) MAPTCA12CA1CA2CA7
SCHEMBL5368475 0.81 MAPT (0.86) MAPTCA12CA1CA2CA7
SCHEMBL6937249 0.79 MAPT (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6666989-B1 Electrical and electro-optic apparatus comprising spaced glass panels having polyethers and electrodes on the interior surfaces, used as detectors, screens and in nonlinear optical apparatus QINETIQ LIMITED (GB) 2003-12-23 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
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed