SCHEMBL9340876

SCHEMBL9340876

CC[C@H](C)COC(=O)c1ccc(O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
SERPINE1 P05121 1/20 0.43
ALDH1A1 P00352 3/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
EGFR P00533 3/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ELANE P08246 1/20 0.38

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
SCHEMBL7129989 1.00 MAPT (0.49) MAPTCA12CA1CA2CA7
SCHEMBL7129984 1.00 MAPT (0.49) MAPTCA12CA1CA2CA7
SCHEMBL7945136 0.87 CA2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL17912418 0.87 ALDH1A1 (0.56) MAPTCA12CA1CA2CA7
SCHEMBL9710361 0.84 MAPT (0.48) MAPTALDH1A1ADRB2ADRB1ADRB3
SCHEMBL9808837 0.84 POLB (0.46) CA12CA1CA2CA7CA9
SCHEMBL9626568 0.83 MAPT (0.53) MAPTCA12CA1CA2CA7
SCHEMBL9626786 0.83 MAPT (0.53) MAPTCA12CA1CA2CA7
SCHEMBL9437154 0.83 POLB (0.45) CA12CA1CA2CA7CA9
SCHEMBL495829 0.82 CA12 (0.67) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
EP-0329153-B1 NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-10-21 EP disclosed
EP-0188222-B1 NOVEL LIQUID CRISTALLINE COMPOUNDS HAVING SUBSTITUENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-04-29 EP disclosed
EP-0251335-B1 HALOGENEN-SUBSTITUTED PHENYL BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM AND OPTICAL SWITCHING ELEMENT Chisso Corporation (JP) 1991-04-24 EP disclosed
US-4943386-A FERROELECTRIC, GOOD RESPONSE AND MEMORY DAINIPPON INK & CHEMICALS, INC. (JP) 1990-07-24 US disclosed
EP-0329153-A2 Novel lactic acid derivatives and liquid crystal compositions containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-08-23 EP disclosed
US-4828754-A TILT-TYPE CHIRAL SMECTIC PHASE DAINIPPON INK & CHEMICALS, INC. (JP) 1989-05-09 US disclosed
US-4784791-A LIQUID CRYSTAL COMPOUNDS FOR OPTICAL SWITCHES CHISSO CORPORATION (JP) 1988-11-15 US disclosed
EP-0251335-A2 Halogenen-substituted phenyl benzyl ether derivatives, liquid crystal compositions containing them and optical switching element Chisso Corporation (JP) 1988-01-07 EP disclosed
EP-0188222-A2 Novel liquid cristalline compounds having substituents DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-07-23 EP disclosed