SCHEMBL16961122

SCHEMBL16961122

[CH2]c1cc(F)cc(OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
NQO1 P15559 1/20 0.41
KAT6A Q92794 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SOD1 P00441 1/20 0.33
PLIN1 O60240 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33

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
SCHEMBL5671801 0.84 NQO1 (0.50) FGFR1FGFR2NQO1KAT6ATDP1
SCHEMBL2257845 0.84 NQO1 (0.50) NQO1TDP1TSHRTP53CYP3A4
SCHEMBL1680217 0.84 NQO1 (0.50) FGFR1FGFR2NQO1KAT6ATDP1
SCHEMBL3237732 0.84 KAT6A (0.39) FGFR1FGFR2KAT6ATDP1CYP1A2
SCHEMBL16960826 0.82 TSHR (0.40) TSHRTP53CYP3A4CYP1A2CYP2D6
SCHEMBL1521712 0.80 PLA2G2A (0.46) TSHRTP53LTA4H
SCHEMBL1522044 0.80 PLA2G2A (0.46) TSHRTP53LTA4H
SCHEMBL16954093 0.79 FFAR4 (0.40) CYP2C19SOD1ALDH1A1MAPT
SCHEMBL12093390 0.77 ESR1 (0.50) FGFR1FGFR2NQO1KAT6AALDH1A1
SCHEMBL256791 0.77 NQO1 (0.42) FGFR1FGFR2NQO1KAT6ATDP1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed