SCHEMBL9751358

SCHEMBL9751358

COC(C(=O)C(OC)C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL15114287 0.88 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1SMN1; SMN2MMP1
SCHEMBL13611203 0.79
SCHEMBL15116682 0.79
SCHEMBL466551 0.79
SCHEMBL1085084 0.79
SCHEMBL15114574 0.79
SCHEMBL17665115 0.77
SCHEMBL16359509 0.77
SCHEMBL12951613 0.77 SMN1; SMN2 (0.50) SLC1A3SLC1A2SLC1A1SMN1; SMN2MMP1
SCHEMBL7920432 0.77 SMN1; SMN2 (0.50) SLC1A3SLC1A2SLC1A1SMN1; SMN2MMP1

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-0404895-A4 SILICONE MODIFIED POLYURETHANES 1991-05-15 EP disclosed
EP-0404895-A1 SILICONE MODIFIED POLYURETHANES BRAMITE LIMITED (AU) 1991-01-02 EP disclosed