SCHEMBL8413613

SCHEMBL8413613

CCc1ccc(OCC(=O)O)c2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CD69 Q07108 1/20 0.39
PTGDR2 Q9Y5Y4 9/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
ABCC3 O15438 1/20 0.34
PLIN1 O60240 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
GSTA1 P08263 1/20 0.34
GSTP1 P09211 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6491777 0.88 PTGDR2 (0.39) L3MBTL1GLAPOLBSMN1; SMN2CD69
SCHEMBL6493951 0.86 TDP1 (0.40) L3MBTL1GLAPOLBSMN1; SMN2CD69
SCHEMBL6483690 0.86 POLB (0.48) L3MBTL1GLAPOLBSMN1; SMN2CD69
SCHEMBL6491151 0.82 PTGDR2 (0.38) L3MBTL1GLAPOLBSMN1; SMN2CD69
SCHEMBL8411608 0.82 CD69 (0.50) L3MBTL1GLAPOLBSMN1; SMN2CD69
SCHEMBL7158739 0.81 SRC (0.31)
SCHEMBL915852 0.79 CD69 (0.47) L3MBTL1GLAPOLBSMN1; SMN2CD69
Hydrochloric Acid SCHEMBL17963732 0.78 CD69 (0.46) L3MBTL1GLAPOLBSMN1; SMN2CD69
SCHEMBL8065187 0.76 MEN1 (0.39) L3MBTL1SMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL133173 0.71 CSNK2A1 (0.35) L3MBTL1SMN1; SMN2KDM4EMEN1MAPT

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-0934247-A1 PHOTOINITIATORS Lambson Fine Chemicals Limited (GB) 1999-08-11 EP disclosed
WO-1997049664-A1 PHOTOINITIATORS LAMBSON FINE CHEMICALS LIMITED (GB) 1997-12-31 WO disclosed