SCHEMBL7470860

SCHEMBL7470860

CC(C)(C)c1csc(COc2cccc(C(=O)O)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PTGER1 P34995 1/20 0.38
MAPT P10636 5/20 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
SCHEMBL7470761 0.88 MAPT (0.42) ALOX15TSHRMEN1KMT2ANPC1
SCHEMBL7470170 0.78 NR4A2 (0.56) KMT2ANPC1RAB9AMRGPRX4
SCHEMBL29159768 0.73 MMP13 (0.49) KDM4ENPC1RAB9AMAPTMMP1
SCHEMBL7471939 0.72 MRGPRX4 (0.41) KDM4ETSHRTDP1MEN1KMT2A
SCHEMBL8623878 0.72 PTGER1 (0.62) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29683116 0.72 MAPK8 (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12168624 0.72 MAPK8 (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL27945865 0.72 KDM4E (0.47) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL7477249 0.71 MAPT (0.46) KMT2ANPC1RAB9AMAPTHSP90AA1
SCHEMBL7471261 0.71 CA12 (0.49) TSHRPDE4APDE4BPDE4CPDE4D

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