SCHEMBL6689534

SCHEMBL6689534

COc1cc(OCc2ccc(SC(F)(F)F)cc2)ccc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 2/20 0.58
ALDH1A1 P00352 3/20 0.50
TUBB1 Q9H4B7 2/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
MAOB P27338 2/20 0.41
ERN1 O75460 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
NTRK2 Q16620 1/20 0.39
PTPN1 P18031 2/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL6233787 0.85 PTPRZ1 (0.57) PTPRZ1ALDH1A1TUBB1NPC1RAB9A
SCHEMBL5885604 0.83 ALDH1A1 (0.68) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL6231724 0.83 PTPRZ1 (0.61) PTPRZ1TUBB1NPC1RAB9ATDP1
SCHEMBL31591495 0.82 ALDH1A1 (0.58) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL30885463 0.81 PTPRZ1 (0.62) PTPRZ1ALDH1A1TDP1MAOBMRGPRX4
SCHEMBL14367331 0.81 ALDH1A1 (0.60) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL31533148 0.80 ALDH1A1 (0.58) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL435043 0.79 ALDH1A1 (0.61) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL21370452 0.78 NPC1 (0.61) ALDH1A1TUBB1NPC1RAB9ATDP1
SCHEMBL6688713 0.77 ALDH1A1 (0.58) ALDH1A1TUBB1NPC1RAB9ATDP1

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
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed