SCHEMBL8307014

SCHEMBL8307014

COC(=O)C[C@H]1C[C@H](CC(=O)OC)S1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
BRD4 O60885 1/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8307011 1.00 TSHR (0.42) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL8307009 1.00 TSHR (0.42) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL8886486 0.77
SCHEMBL14499820 0.75 TSHR (0.46) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL5638542 0.75 TSHR (0.46) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL5638546 0.75 TSHR (0.46) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL1863234 0.71
SCHEMBL14524250 0.71 EPHX2 (0.38) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL24197361 0.70 BRD4 (0.50) TSHRBRD4HSD17B10GAAMGAM
SCHEMBL2036054 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607374-B1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS PO HANG IRON & STEEL (KR) 1999-04-07 EP disclosed
US-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed
EP-0607374-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-07-27 EP disclosed
WO-1994000447-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-01-06 WO disclosed