SCHEMBL7466155

SCHEMBL7466155

CC(C)(C)c1csc(/C=C/c2cccc(C(=O)O)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.48
UNG P13051 1/20 0.43
FBP1 P09467 1/20 0.43
ALB P02768 1/20 0.42
P4HB P07237 1/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC16A3 O15427 3/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 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
SCHEMBL7466164 1.00 TTR (0.48) TTRUNGFBP1ALBP4HB
SCHEMBL5779807 0.80 ALB (0.61) TTRUNGFBP1ALBP4HB
SCHEMBL7478870 0.79 NR1H4 (0.52) TTRUNGFBP1KMT2ANPC1
SCHEMBL7478874 0.79 NR1H4 (0.52) TTRUNGFBP1KMT2ANPC1
SCHEMBL808972 0.74 TTR (0.79) TTRUNGFBP1P4HBHPGD
SCHEMBL9075299 0.74 TTR (0.79) TTRUNGFBP1P4HBHPGD
SCHEMBL808971 0.74 TTR (0.79) TTRUNGFBP1P4HBHPGD
SCHEMBL8899992 0.74 TTR (0.79) TTRUNGFBP1P4HBHPGD
SCHEMBL5908933 0.74 NPC1 (0.39) HDAC1HDAC6KMT2ANPC1RAB9A
SCHEMBL17336957 0.72 KMO (0.51) TTRHDAC1HDAC6KMT2ANPC1

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