SCHEMBL2853337

SCHEMBL2853337

O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
ELANE P08246 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTR1E P28566 1/20 0.33
S1PR3 Q99500 1/20 0.33
TSHR P16473 1/20 0.31
MDM2 Q00987 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL547057 0.96 ELANE (0.37) LMNAPOLBELANECYP1A2CYP2D6
SCHEMBL546255 0.91 KMT2A (0.35) LMNAPOLBCYP1A2CYP2D6SCN1A
SCHEMBL546232 0.77 LMNA (0.41) LMNAPOLBELANEALDH1A1MAPT
SCHEMBL1672477 0.75 ALDH1A1 (0.33) LMNAALDH1A1MAPTHTR1ES1PR3
SCHEMBL482457 0.75 TSHR (0.44) LMNAALDH1A1MAPTTSHRHTT
Trifluoromethanesulfonic Acid SCHEMBL3096657 0.74 MAPT (0.37) LMNAPOLBALDH1A1MAPTHTT
SCHEMBL547059 0.73 ALDH1A1 (0.33) LMNAALDH1A1MAPTHTR1ES1PR3
SCHEMBL547058 0.72 LMNA (0.36) LMNAPOLBELANECYP1A2CYP2D6
SCHEMBL5538234 0.71 MGLL (0.33) LMNAPOLBKMT2A
SCHEMBL546278 0.71 ALDH1A1 (0.39) LMNAALDH1A1MAPTHTR1ES1PR3

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-2244126-A2 Patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2010-10-27 EP disclosed