SCHEMBL4914733

SCHEMBL4914733

O=Cc1ccc(C(F)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.50
DRD1 P21728 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CYP2A6 P11509 4/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
KIF11 P52732 1/20 0.38
ALDH1A1 P00352 5/20 0.37
ALDH1A3 P47895 1/20 0.36
EGFR P00533 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2A13 Q16696 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
SCHEMBL10734465 0.83 TYR (0.47) TYRDRD1AKR1C3AKR1C2CYP2A6
SCHEMBL3275977 0.80 TYR (0.52) TYRDRD1AKR1C3AKR1C2CYP2A6
SCHEMBL30990031 0.77 TYR (0.48) TYRDRD1AKR1C3AKR1C2CYP2A6
SCHEMBL2424334 0.77 TYR (0.48) TYRDRD1AKR1C3AKR1C2CYP2A6
SCHEMBL472391 0.77 TYR (0.58) TYRDRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL30204365 0.74 ESR1 (0.39) KIF11
SCHEMBL7140081 0.73 TYR (0.54) TYRDRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL24408867 0.72 KIF11 (0.45) TYRDRD1AKR1C3AKR1C2CYP2A6
SCHEMBL12199531 0.72 TYR (0.48) TYRDRD1AKR1C3AKR1C2CYP2A6
SCHEMBL5794661 0.72 TYR (0.44) TYRDRD1AKR1C3AKR1C2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080131812-A1 Resin for printing plate material and lithographic printing plate material by use thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-06-05 US disclosed