SCHEMBL6344852

SCHEMBL6344852

CCCCOC(C)Oc1ccc(OB(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LTA4H P09960 1/20 0.34
NR5A1 Q13285 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.33
PLA2G4B P0C869 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL6343478 0.92 LTA4H (0.32) LTA4H
SCHEMBL6344846 0.87 LTA4H (0.33) TSHRLTA4HNR5A1GAARAB9A
SCHEMBL7546325 0.81 KDM4E (0.41) LTA4H
SCHEMBL8599977 0.81 LTA4H (0.53) TSHRLTA4HNR5A1GAARAB9A
SCHEMBL10998789 0.80 LTA4H (0.52) LTA4HGAAPPARG
SCHEMBL10998787 0.80 LTA4H (0.52) LTA4HGAAPPARG
SCHEMBL13439646 0.78 ALDH1A1 (0.40) TSHRPPARG
SCHEMBL6004172 0.78 LTA4H (0.34) TSHRLTA4HNR5A1GAARAB9A
SCHEMBL6343472 0.78 LTA4H (0.30) LTA4H
SCHEMBL6694487 0.77 TSHR (0.37) TSHRGAARAB9ATP53PLA2G4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP disclosed