SCHEMBL9269708

SCHEMBL9269708

O=S(=O)(O)CCc1ccc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ USP2 O75604 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ RAD51 Q06609 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CYP2A6 P11509 2/20 0.41
▸ AHR P35869 3/20 0.41
▸ NR4A2 P43354 2/20 0.41
▸ F7 P08709 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 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
SCHEMBL1650349 0.84 CA12 (0.49) HDAC1HDAC8USP2GAAALOX15
SCHEMBL28853829 0.84 PTGS2 (0.53) HDAC1HDAC8USP2GAAALOX15
SCHEMBL8666600 0.80 HDAC1 (0.55) HDAC1HDAC8USP2GAAALOX15
SCHEMBL1275476 0.80 HDAC1 (0.48) HDAC1HDAC8USP2GAAALOX15
SCHEMBL9800386 0.80 HDAC1 (0.45) HDAC1HDAC8USP2GAAALOX15
SCHEMBL1457933 0.79 CYP19A1 (0.48) HDAC1HDAC8CYP19A1CA12CA1
SCHEMBL4414373 0.78 HDAC1 (0.52) HDAC1HDAC8USP2GAAALOX15
SCHEMBL7222368 0.78 HDAC1 (0.54) HDAC1HDAC8USP2GAAALOX15
Sulfuric Acid SCHEMBL1491064 0.76 CA1 (0.48) HDAC1HDAC8USP2GAAALOX15
SCHEMBL4566612 0.76 CYP19A1 (0.45) HDAC1HDAC8CYP19A1CA12CA1

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
US-5468641-A Device for validating urobilinogen test devices BAYER CORPORATION (US) 1995-11-21 — — US disclosed
EP-0628821-A2 Device for validating urobilinogen test devices Bayer Corporation (US) 1994-12-14 — — EP disclosed
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