SCHEMBL7469540

SCHEMBL7469540

CC(C)(C)c1csc(COc2cc(Cl)cc(C(=O)O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BCHE P06276 2/20 0.39
PPARD Q03181 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TPMT P51580 1/20 0.36
NR4A2 P43354 3/20 0.36
LMNA P02545 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL7471878 0.89 MAPT (0.53) MAPTNPC1RAB9ATDP1KDM4E
SCHEMBL7470170 0.82 NR4A2 (0.56) NPC1RAB9AMRGPRX4PPARDGPBAR1
SCHEMBL7471233 0.78 NPC1 (0.44) MAPTNPC1RAB9AMRGPRX4TDP1
SCHEMBL7477249 0.78 MAPT (0.46) MAPTNPC1RAB9ABCHEPPARD
SCHEMBL7471939 0.74 MRGPRX4 (0.41) NPC1RAB9AMRGPRX4TDP1KDM4E
SCHEMBL7471261 0.74 CA12 (0.49) MRGPRX4TPMTRXRA
SCHEMBL7467175 0.72 MAPT (0.44) MAPTNPC1RAB9ATDP1KDM4E
SCHEMBL5779001 0.72 MAPT (0.45) MAPTNPC1RAB9AMRGPRX4BCHE
SCHEMBL23657730 0.71 MAPT (1.00) MAPTNPC1RAB9AMRGPRX4KDM4E
Hydrochloric Acid SCHEMBL7473585 0.70 KMT2A (0.51) GPBAR1KMT2ANR4A2NR4A1NR4A3

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