SCHEMBL11745280

SCHEMBL11745280

O=C(O)C1CC(=O)N(c2ccc(C(F)(F)F)c(C(F)(F)F)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
POLB P06746 2/20 0.59
KMT2A Q03164 2/20 0.59
GRK2 P25098 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
RECQL P46063 1/20 0.56
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA4 P22748 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CA5B Q9Y2D0 3/20 0.54
CA6 P23280 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
NOTUM Q6P988 5/20 0.48
CA13 Q8N1Q1 2/20 0.48
CA5A P35218 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL11748147 0.90 NOTUM (0.61) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL20676025 0.82 CA12 (0.74) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL1008592 0.81 SMN1; SMN2 (0.60) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL5841909 0.80 RECQL (0.62) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL21121486 0.79 TSHR (0.57) TSHRPOLBKMT2AGRK2CTDSP1
Hydrochloric Acid SCHEMBL11747023 0.79 RECQL (0.61) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL2221436 0.78 TSHR (0.71) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL23067586 0.77 CA12 (0.57) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL7825178 0.77 TSHR (0.66) TSHRPOLBKMT2AGRK2CTDSP1
SCHEMBL20116457 0.77 POLB (0.78) TSHRPOLBKMT2AGRK2CTDSP1

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-4013445-A 1-(Bis-trifluoromethylphenyl)-2-oxo-pyrrolidine-4-carboxylic acid derivatives, their production and their use as plant-growth regulators and herbicides CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed