SCHEMBL9711587

SCHEMBL9711587

[O]CC(=S)n1ccccc1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
PSMB5 P28074 1/20 0.32
PSMB1 P20618 1/20 0.31
IDH1 O75874 2/20 0.31
ESR1 P03372 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP3 P08254 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS1 P23219 1/20 0.30
LOX P28300 1/20 0.30
ADRA1A P35348 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL4 Q96JB6 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL558876 0.79 ESR1 (0.34) POLBNPSR1TSHRPSMB1IDH1
SCHEMBL6174489 0.73 POLB (0.34) POLBNPSR1TSHRESR1HSP90AA1
SCHEMBL620180 0.72 TSHR (0.37) POLBNPSR1TSHRPSMB5PSMB1
SCHEMBL8698153 0.72 TSHR (0.37) POLBNPSR1TSHRPSMB5PSMB1
SCHEMBL2703082 0.70 MAPT (0.38) NPSR1TSHRPSMB1IDH1RAB9A
SCHEMBL1505859 0.68 BCHE (0.39) POLBNPSR1TSHRPSMB1
SCHEMBL8677952 0.68 NOTUM (0.48) POLBTSHR
SCHEMBL27500883 0.68 POLB (0.36) POLBNPSR1TSHRPSMB5PSMB1
SCHEMBL10877381 0.68 CES1 (0.42) POLBNPSR1TSHRRAB9A
SCHEMBL23732646 0.67 PSMB1 (0.36) POLBNPSR1TSHRPSMB1IDH1

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
EP-0510356-A1 Polyethylene glycol protein conjugates F. HOFFMANN-LA ROCHE AG (CH) 1992-10-28 EP disclosed