SCHEMBL6027301

SCHEMBL6027301

O=C(CI)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.40
CA2 P00918 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 1/20 0.31
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6027767 1.00 GBA1 (0.40) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL31218391 0.98 GBA1 (0.39) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL6029680 0.90 GBA1 (0.37) GBA1CA2THRB
SCHEMBL8088030 0.86 GBA1 (0.50) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL8087339 0.84 GBA1 (0.49) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL935439 0.80 GBA1 (0.38) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL933568 0.80 GBA1 (0.38) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL935196 0.78 GBA1 (0.37) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL11895942 0.77 GBA1 (0.36) GBA1CA2ALDH1A1SMN1; SMN2POLB
SCHEMBL15625533 0.73 GBA1 (0.43) GBA1POLB

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
US-20060263886-A1 Fluorous labeling for selective processing of biologically-derived samples PETERS ERIC 2006-11-23 US disclosed
EP-1687643-A1 FLUOROUS LABELING FOR SELECTIVE PROCESSING OF BIOLOGICALLY-DERIVED SAMPLES IRM, LLC (BM) 2006-08-09 EP disclosed
WO-2005050226-A1 FLUOROUS LABELING FOR SELECTIVE PROCESSING OF BIOLOGICALLY-DERIVED SAMPLES IRM LLC (BM) 2005-06-02 WO disclosed