SCHEMBL9820121

SCHEMBL9820121

COC(=O)CC(=O)CC(C)CC=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
TSHR P16473 3/20 0.34
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL12820107 0.86 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL119899 0.86 TSHR (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL1781085 0.76 MGAM (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL34474294 0.75 CYP2C19 (0.42)
SCHEMBL529207 0.74 MGAM (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL23391807 0.73 MGAM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL28873487 0.72 MMP1 (0.31)
SCHEMBL27473691 0.72 MMP1 (0.31)
SCHEMBL9819138 0.72 BLM (0.44) MGAMGAASIMGAM2TSHR
SCHEMBL9819143 0.72 BLM (0.44) MGAMGAASIMGAM2TSHR

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
JP-3151373-A None JP disclosed
JP-H03151373-A PRODUCTION OF ROSEFURAN TOYOTAMA KORYO KK 1991-06-27 JP disclosed