SCHEMBL8476641

SCHEMBL8476641

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.50
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5676185 0.92 L3MBTL1 (0.44) F2SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL8481720 0.90 GAA (0.50) F2POLBSMN1; SMN2TSHRLMNA
SCHEMBL8480689 0.90 SMN1; SMN2 (0.47) F2SMN1; SMN2TSHRKMT2AGAA
SCHEMBL8479188 0.88 F2 (0.56) F2
SCHEMBL8482817 0.87 F2 (0.39) F2SMN1; SMN2LMNAHPGDKMT2A
SCHEMBL8481749 0.82 F2 (0.46) F2
SCHEMBL8477325 0.80 F2 (0.48) F2POLBSMN1; SMN2CASP1LMNA
SCHEMBL5674364 0.80 F2 (0.49) F2POLBSMN1; SMN2TSHRCASP1
SCHEMBL8481378 0.80 F2 (0.56) F2
SCHEMBL8479211 0.80 F2 (0.54) F2

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
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed