SCHEMBL7422303

SCHEMBL7422303

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.38
TSHR P16473 3/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
KISS1R Q969F8 3/20 0.34
BIRC2 Q13490 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
SLC1A1 P43005 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL11466611 0.85 TSHR (0.43) TSHRBIRC2HSD17B10MGAMGAA
SCHEMBL4633086 0.82 MME (0.51) MMESLC1A3SLC1A2MMP2MMP9
SCHEMBL7453163 0.82 MME (0.54) MMETSHRSLC1A3SLC1A2KISS1R
SCHEMBL4633090 0.82 MME (0.51) MMESLC1A3SLC1A2MMP2MMP9
SCHEMBL4743296 0.82 MME (0.51) MMESLC1A3SLC1A2MMP2MMP9
SCHEMBL22432286 0.80 MMP1 (0.40) MMETSHRSLC1A3SLC1A2KISS1R
SCHEMBL7099851 0.80 MMP1 (0.40) MMETSHRSLC1A3SLC1A2KISS1R
SCHEMBL8228378 0.79 CA1 (0.39) TSHRBIRC2HSD17B10MGAMGAA
SCHEMBL11207414 0.76 SLC1A3 (0.40) MMETSHRSLC1A3SLC1A2KISS1R
SCHEMBL818884 0.75 SLC1A3 (0.36) MMESLC1A3SLC1A2KISS1R

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
EP-0579650-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1994-01-26 EP disclosed
WO-1992017460-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1992-10-15 WO disclosed