SCHEMBL9240232

SCHEMBL9240232

C=Cc1ccc(S(=O)(=O)OP(CCCC)(CCCC)(CCCC)CCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
EGFR P00533 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
MCL1 Q07820 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
SCHEMBL305722 0.81 SMN1; SMN2 (0.42) TDP1CA2CA12CA1TSHR
SCHEMBL3671895 0.80 GAA (0.44) TDP1CA2CA12CA1TSHR
SCHEMBL1638890 0.80 TDP1 (0.45) TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL524732 0.78 MCHR1 (0.46) TDP1CA2CA12TSHRCA9
SCHEMBL514092 0.78 MCHR1 (0.46) TDP1CA2CA12TSHRCA9
SCHEMBL15057073 0.77 TDP1 (0.44) TDP1CA2CA12CA1TSHR
SCHEMBL4607771 0.77 CA2 (0.54) CA2CA12CA1CA9ALDH1A1
SCHEMBL314341 0.75 RECQL (0.45) TDP1CA2CA12CA1TSHR
SCHEMBL13078558 0.75 RECQL (0.45) TDP1CA2CA12CA1TSHR
Hydrochloric Acid SCHEMBL10968741 0.75 TDP1 (0.41) TDP1CA2CA12CA1TSHR

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-0678552-A1 Process for the preparation of modified polybutylene terephthalate resin POLYPLASTICS CO. LTD. (JP) 1995-10-25 EP disclosed