SCHEMBL28066003

SCHEMBL28066003

O=Cc1ccc(-c2ccccc2C(F)(F)F)c(C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD11B1 P28845 1/20 0.36
NFKB1 P19838 1/20 0.36
HPGD P15428 1/20 0.36
AR P10275 1/20 0.36
TRPA1 O75762 3/20 0.35
BACE1 P56817 1/20 0.35
KMO O15229 1/20 0.35
ERN1 O75460 1/20 0.35
PSMB8 P28062 1/20 0.35
NOTUM Q6P988 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL4846671 0.83 MEN1 (0.46) ALDH1A1HSD11B1NFKB1HPGDPSMB8
SCHEMBL27016125 0.83 HSD11B1 (0.41) AKR1C3AKR1C2ALDH1A1HSD11B1TRPA1
SCHEMBL5964273 0.83 TRPA1 (0.46) KIF11AKR1C3AKR1C2ALDH1A1HSD11B1
SCHEMBL26262578 0.83 ERN1 (0.42) AKR1C3AKR1C2ALDH1A1HSD11B1NFKB1
SCHEMBL29511341 0.80 AKR1C3 (0.39) KIF11AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL2201450 0.79 ALDH1A1 (0.50) AKR1C3AKR1C2ALDH1A1KDM4EHPGD
SCHEMBL6855509 0.79 KIF11 (0.50) KIF11AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL6853514 0.77 KIF11 (0.53) KIF11AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL6853654 0.76 KIF11 (0.49) KIF11AKR1C3AKR1C2ALDH1A1KDM4E
SCHEMBL566340 0.76 KIF11 (0.53) KIF11AKR1C3AKR1C2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107429059-B Energy-sensitive resin composition 东京应化工业株式会社 2020-10-23 CN disclosed
CN-105579907-B Radiation-sensitive composition and pattern production method 东京应化工业株式会社 2019-12-17 CN disclosed
CN-105579907-A Radiation-sensitive composition and pattern production method TOKYO OHKA KOGYO CO LTD 2016-05-11 CN disclosed