SCHEMBL8773429

SCHEMBL8773429

C=CCc1c(C)ccc(C)c1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
GAA P10253 3/20 0.32
GLA P06280 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
NT5E P21589 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CASP7 P55210 1/20 0.32
SRD5A1 P18405 1/20 0.31
CNR2 P34972 1/20 0.30
TSHR P16473 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
SCHEMBL1838149 0.88 SRD5A1 (0.41) POLBFFAR4GAAGLAHSD17B10
SCHEMBL1083364 0.87 HPGD (0.35) POLBFFAR4TDP1GAASMN1; SMN2
SCHEMBL9706720 0.78 POLB (0.36) POLBTDP1SRD5A1
SCHEMBL1083369 0.77 POLB (0.36) POLBFFAR4GAAHPGD
SCHEMBL2059594 0.77 POLB (0.33) POLBFFAR4RECQL
SCHEMBL1734598 0.76 MEN1 (0.35) POLBFFAR4TDP1GAAGLA
SCHEMBL1734600 0.76 POLB (0.38) POLBFFAR4TDP1GAA
SCHEMBL729518 0.76 GABRA1 (0.43) POLBGAAHSD17B10KDM4EALDH1A1
SCHEMBL28557476 0.76 MYC (0.37) POLBFFAR4TDP1GAAKDM4E
SCHEMBL18074247 0.75 POLB (0.41) POLBFFAR4GAAGLAKDM4E

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-0489472-B1 Carbonylation process and catalyst composition SHELL INT RESEARCH (NL) 1997-10-29 EP claimed
EP-0489472-A2 Carbonylation process and catalyst composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-06-10 EP claimed