SCHEMBL7477249

SCHEMBL7477249

CC(C)(C)c1csc(COc2ccc(Cl)c(C(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PPARD Q03181 6/20 0.42
BCHE P06276 1/20 0.41
PPARA Q07869 4/20 0.39
EIF4E P06730 1/20 0.39
HSP90AA1 P07900 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LMNA P02545 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL7467175 0.89 MAPT (0.44) MAPTNPC1RAB9APPARDBCHE
SCHEMBL7471233 0.80 NPC1 (0.44) MAPTNPC1RAB9AKMT2A
SCHEMBL7470170 0.79 NR4A2 (0.56) NPC1RAB9APPARDKMT2A
SCHEMBL7469540 0.78 MAPT (0.55) MAPTNPC1RAB9APPARDBCHE
SCHEMBL7473467 0.73 NPC1 (0.45) MAPTNPC1RAB9AKMT2A
SCHEMBL7471878 0.72 MAPT (0.53) MAPTNPC1RAB9APPARDBCHE
SCHEMBL7470860 0.71 ECE1 (0.42) MAPTNPC1RAB9AHSP90AA1LMNA
SCHEMBL7471939 0.71 MRGPRX4 (0.41) NPC1RAB9APPARDPPARAKMT2A
SCHEMBL7471261 0.70 CA12 (0.49)
SCHEMBL15935983 0.70 TAS1R3 (0.54) EIF4ELMNA

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-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed