SCHEMBL7478013

SCHEMBL7478013

O=C(O)c1cccc(OCc2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.58
PPARA Q07869 2/20 0.58
NR4A2 P43354 7/20 0.56
MRGPRX4 Q96LA9 2/20 0.53
GPBAR1 Q8TDU6 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMPD1 P17405 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL7467443 0.81 NR4A2 (0.50) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL7470170 0.80 NR4A2 (0.56) PPARDNR4A2MRGPRX4GPBAR1CYSLTR1
SCHEMBL7473175 0.79 NR4A2 (0.48) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL7472699 0.79 NR4A2 (0.48) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL9721952 0.79 NR4A2 (0.61) PPARANR4A2MRGPRX4GPBAR1CYSLTR1
Benzoic Acid SCHEMBL2284793 0.79 RAB9A (0.53) NR1H4MAPTNPC1RAB9ATDP1
SCHEMBL7471030 0.78 NR4A2 (0.47) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL3569948 0.78 MRGPRX4 (0.52) PPARDPPARANR4A2MRGPRX4MAPT
SCHEMBL14236726 0.77 MAPT (0.52) PPARDPPARAMAPTNPC1RAB9A
SCHEMBL13484535 0.75 PPARD (0.96) PPARDPPARA

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