SCHEMBL10697499

SCHEMBL10697499

O=C(O)c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
POLB P06746 2/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPSE Q9Y251 1/20 0.35
ELANE P08246 2/20 0.34
APEX1 P27695 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1C2 P52895 2/20 0.34
AKR1C3 P42330 1/20 0.34
PYGL P06737 3/20 0.33
PYGM P11217 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
AKR1C1 Q04828 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL6825123 0.80 HSD17B10 (0.44) ALDH1A1HSD17B10USP2ELANE
SCHEMBL8822597 0.77 AURKA (0.33) ALDH1A1HSD17B10AKR1C3
SCHEMBL28357753 0.75 ALDH1A1 (0.43) ALDH1A1POLBKDM4EHSD17B10HPGD
SCHEMBL30241072 0.73 CA1 (0.48) ALDH1A1POLBKDM4EHSD17B10HPGD
SCHEMBL28967609 0.73 CA1 (0.48) ALDH1A1POLBKDM4EHSD17B10HPGD
SCHEMBL28470047 0.72 ALDH1A1 (0.57) ALDH1A1POLBKDM4EHSD17B10HPGD
SCHEMBL9463984 0.71 ALDH1A1 (0.66) ALDH1A1POLBKDM4EHSD17B10CYP2C19
SCHEMBL9463991 0.71 ALDH1A1 (0.66) ALDH1A1POLBKDM4EHSD17B10CYP2C19
SCHEMBL10690277 0.71 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL15814492 0.71 ALDH1A1 (0.51) ALDH1A1POLBKDM4EHSD17B10HPGD

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
EP-0137716-B1 OPTICAL ADHESIVE COMPOSITION NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1988-12-14 EP claimed
JP-58059237-A None JP disclosed
JP-56140951-A None JP disclosed
JP-56140988-A None JP disclosed
JP-S5859237-A ADDITIVE TO IMPROVE WATER AND OIL REPELLENCY NIPPON TELEGR & TELEPH CORP <NTT> 1983-04-08 JP disclosed
JP-S56140988-A 4- PERFLUORO-3- 1-METHYLETHYL -4-METHYL-2-PENTENE-2-OXY PHTHALIC ANHYDRIDE AND ITS PREPARATION NIPPON TELEGR & TELEPH CORP <NTT> 1981-11-04 JP disclosed
JP-S56140951-A 4- PERFLUORO-3- 1-METHYLETHYL -4-METHYL-2-PENTEN-2-OXY - PHTHALIC ACID AND ITS PREPARATION NIPPON TELEGR & TELEPH CORP <NTT> 1981-11-04 JP disclosed