SCHEMBL9213823

SCHEMBL9213823

O=C(OC(C(=O)O)C(O)C(=O)O)C(O)CO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.46
PDE4A P27815 1/20 0.39
TSHR P16473 2/20 0.36
CYP2C9 P11712 1/20 0.34
SRC P12931 1/20 0.33
PGD P52209 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL17847297 0.82 SMN1; SMN2 (0.48) OR51E2TSHRSRCPGDMMP1
SCHEMBL2845132 0.82 SMN1; SMN2 (0.48) OR51E2TSHRSRCPGDMMP1
SCHEMBL2845135 0.80 MMP1 (0.44) TSHRSRCMMP1MMP2MMP3
SCHEMBL1431069 0.80 TSHR (0.45) PDE4ATSHRCYP2C9SRCPGD
SCHEMBL184960 0.78 TSHR (0.50) PDE4ATSHRCYP2C9SRCPGD
SCHEMBL20565537 0.78 TSHR (0.43) PDE4ATSHRCYP2C9SRCPGD
SCHEMBL2200092 0.78 TSHR (0.50) PDE4ATSHRCYP2C9SRCPGD
SCHEMBL5691239 0.78 TSHR (0.50) PDE4ATSHRCYP2C9SRCPGD
SCHEMBL7707382 0.78 TSHR (0.43) PDE4ATSHRCYP2C9SRCPGD
SCHEMBL5691242 0.78 TSHR (0.50) PDE4ATSHRCYP2C9SRCPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995005154-A1 CLEANSING COMPOSITION UNILEVER PLC (GB) 1995-02-23 WO disclosed