SCHEMBL5566834

SCHEMBL5566834

CC(=O)Oc1csc(S)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL2771532 0.78 RAB9A (0.38) LMNANPC1MAPTRAB9A
SCHEMBL1000856 0.77 ALDH1A1 (0.44) LMNAATP4AATP4BMEN1NPC1
Hydrochloric Acid SCHEMBL11102564 0.76 ALDH1A1 (0.46) LMNAATP4AATP4BMEN1NPC1
SCHEMBL29350255 0.74 MAPT (0.33) ALOX5CYP1A2MEN1NPC1ALDH1A1
SCHEMBL6172805 0.73 L3MBTL1 (0.56) LMNAMEN1NPC1ALDH1A1MAPT
SCHEMBL11581850 0.72 CYP3A4 (0.34) ALOX5LMNACYP1A2ATP4AATP4B
SCHEMBL9390432 0.70 ALOX5 (0.54) ALOX5NPC1MAPTRAB9A
SCHEMBL6641922 0.70 SMN1; SMN2 (0.37) LMNAMEN1NPC1MAPTRAB9A
SCHEMBL2642412 0.69
SCHEMBL9555571 0.68 LMNA (0.51) LMNAALDH1A1MAPT

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-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed