SCHEMBL8736161

SCHEMBL8736161

O=C1C=C(c2ccccc2)C(=O)N1C(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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 2/20 0.42
CCR6 P51684 2/20 0.42
HPGD P15428 2/20 0.42
ALOX12 P18054 2/20 0.42
CACNA1B Q00975 2/20 0.42
APBA1 Q02410 2/20 0.42
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 3/20 0.37
RGS4 P49798 1/20 0.35
HCRTR1 O43613 1/20 0.35
S1PR4 O95977 1/20 0.35
HSP90AA1 P07900 1/20 0.35
S1PR1 P21453 1/20 0.35
FOS P01100 1/20 0.33
JUN P05412 1/20 0.33
NFKB1 P19838 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
SCHEMBL8566676 0.80 MAPT (0.49) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL8569835 0.74 MAPT (0.49) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL3482530 0.69 XPO1 (0.35)
SCHEMBL149927 0.68 MAPT (0.53) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL28770986 0.68 MAPT (0.53) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL28770983 0.67 MAPT (0.45) MAPTALDH1A1NPSR1GAACCR6
Ethane SCHEMBL8564354 0.66 MAPT (0.51) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL152254 0.65 MAPT (0.55) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL9418708 0.65 ALDH1A1 (0.50) MAPTALDH1A1NPSR1GAACCR6
SCHEMBL6428791 0.65 MAPT (0.48) MAPTALDH1A1NPSR1GAACCR6

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
EP-0722959-B1 Highly oxygen-permeable heat-resistant material MENICON CO LTD (JP) 1998-04-08 EP disclosed
US-5587445-A Highly oxygen-permeable heat-resistant material MENICON CO., LTD. (JP) 1996-12-24 US disclosed
EP-0722959-A2 Highly oxygen-permeable heat-resistant material Menicon Co., Ltd. (JP) 1996-07-24 EP disclosed