SCHEMBL7467705

SCHEMBL7467705

COC(=O)c1ccc(OC)c(OCc2nc(C(C)(C)C)cs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMPD1 P17405 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
DHFR P00374 1/20 0.40
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL7471261 0.90 CA12 (0.49) SMPD1HDAC8HDAC1HDAC6TSHR
SCHEMBL7473893 0.89 NOTUM (0.44) MAPTSMN1; SMN2CYP2C9MAPK1LMNA
SCHEMBL7473467 0.88 NPC1 (0.45) MAPTSMN1; SMN2CYP1A2CYP2C19HDAC8
SCHEMBL27478197 0.81 CYSLTR1 (0.52) MAPT
SCHEMBL7471939 0.77 MRGPRX4 (0.41) SMN1; SMN2CYP1A2CYP2C9KMT2AMEN1
SCHEMBL7471233 0.76 NPC1 (0.44) MAPTSMN1; SMN2HDAC8MAPK1KMT2A
SCHEMBL7471878 0.76 MAPT (0.53) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7470761 0.74 MAPT (0.42) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL7466568 0.73 MYC (0.45) MAPTSMN1; SMN2NPSR1KMT2AMEN1
SCHEMBL7467175 0.72 MAPT (0.44) MAPTMAPK1LMNAKMT2ARAB9A

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