SCHEMBL563363

SCHEMBL563363

O=C(O)C(=Cc1ccccc1)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.44
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
MCL1 Q07820 1/20 0.40
TP53 P04637 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 2/20 0.36
CYP1A1 P04798 1/20 0.36
MAOB P27338 1/20 0.36
CYP1B1 Q16678 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 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
SCHEMBL563697 0.79 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL1563519 0.76 AKR1C3 (0.52) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL6555146 0.76 ALDH1A1 (0.38) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL563247 0.76 KDM4E (0.48) CYP2C9CYP3A4HTTALDH1A1MEN1
SCHEMBL3672023 0.75 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL689448 0.75 AKR1C3 (0.55) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL3226792 0.75 AKR1C3 (0.55) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL22634102 0.75 AKR1C3 (0.55) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL27808245 0.73 AKR1C3 (0.48) AKR1C3AKR1C1CYP2C9CYP3A4MCL1
SCHEMBL7146881 0.71 AKR1C3 (0.50) AKR1C3AKR1C1CYP2C9CYP3A4MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609318-B2 Radiation-sensitive resin composition, method for forming resist pattern and polymer JSR CORPORATION (JP) 2013-12-17 US disclosed
US-20120034560-A1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN AND POLYMER JSR CORPORATION (JP) 2012-02-09 US disclosed