SCHEMBL7609522

SCHEMBL7609522

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.48
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA7 P43166 7/20 0.48
CA9 Q16790 7/20 0.48
CA14 Q9ULX7 7/20 0.48
ALDH1A1 P00352 2/20 0.37
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
ESRRG P62508 1/20 0.36
SERPINE1 P05121 1/20 0.36
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL7609521 1.00 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6938736 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6938740 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7120866 0.84 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8610288 0.84 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL9344940 0.84 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7120872 0.84 ALDH1A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL7541984 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7541987 0.84 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL6936706 0.82 SERPINE1 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11092428-A None JP disclosed
EP-0974636-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2002-05-29 EP disclosed
EP-0893429-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-03-07 EP disclosed
US-6197389-B1 AROMATIC ESTER COMPOUNDS HIGH SPEED RESPONSE IN SPITE OF A SMALL SPONTANEOUS POLARIZATION, MITSUBISHI GAS CHEMICAL COMPANY INC (JP) 2001-03-06 US disclosed
JP-2000095733-A FERRIELECTRIC LIQUID CRYSTAL COMPOUND MITSUBISHI GAS CHEM CO INC 2000-04-04 JP disclosed
EP-0974636-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-01-26 EP disclosed
US-5972243-A FOR USE IN AN ACTIVE MATRIX-TYPE LIQUID CRYSTAL DISPLAY DEVICE IN WHICH EACH PIXEL IS INDIVIDUALLY DRIVEN BY THIN FILM TRANSISTOR OR METAL INSULATOR METAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-26 US disclosed
JP-H1192428-A FERRIELECTRIC LIQUID CRYSTAL COMPOUND MITSUBISHI GAS CHEM CO INC 1999-04-06 JP disclosed
EP-0893429-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-01-27 EP disclosed