SCHEMBL7578680

SCHEMBL7578680

C=Cc1ccccc1/C=C/c1cccc(C=C)c1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFE2L2 Q16236 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
C1S P09871 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GSR P00390 1/20 0.31
SUMO2 P61956 1/20 0.30
SUMO1 P63165 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP3 Q9H4L4 1/20 0.30
SENP2 Q9HC62 1/20 0.30
SENP1 Q9P0U3 1/20 0.30
TTR P02766 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
SCHEMBL1355486 0.89 TDP1 (0.43) SLC9A1TDP1ALDH1A1CYP2D6TSHR
SCHEMBL2543853 0.79 TTR (0.40) SLC9A1TDP1ALDH1A1CYP2D6TSHR
Vinylsulfonic Acid SCHEMBL28173703 0.78 TDP1 (0.45) SLC9A1TDP1ALDH1A1CYP2D6TSHR
Sulfuric Acid SCHEMBL968452 0.78 ALDH1A1 (0.48) SLC9A1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL7774684 0.78 ERN1 (0.39) SLC9A1TDP1ALDH1A1CYP2D6NFE2L2
Ammonia Solution, Strong SCHEMBL18492496 0.78 TTR (0.39) SLC9A1TDP1ALDH1A1CYP2D6TSHR
Vinylsulfonic Acid SCHEMBL28148853 0.77 TDP1 (0.43) SLC9A1TDP1ALDH1A1CYP2D6TSHR
SCHEMBL4465774 0.76 TDP1 (0.37) SLC9A1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL167674 0.76 SLC9A1 (0.37) SLC9A1TDP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL8356169 0.76 ALDH1A1 (0.50) SLC9A1TDP1ALDH1A1PTGS2GSR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002055488-A1 ASYMMETRIC DIVINYLSTILBENE-SULPHONIC ACIDS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-07-18 WO disclosed
WO-2002055488-A1 ASYMMETRIC DIVINYLSTILBENE-SULPHONIC ACIDS CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2002-07-18 WO disclosed
EP-1105366-A1 DIVINYLSTILBENESULFONIC ACID DERIVATIVES Ciba SC Holding AG (CH) 2001-06-13 EP disclosed
EP-1105366-A1 DIVINYLSTILBENESULFONIC ACID DERIVATIVES Ciba SC Holding AG (CH) 2001-06-13 EP disclosed
WO-2000009471-A1 DIVINYLSTILBENESULFONIC ACID DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-24 WO disclosed
WO-2000009471-A1 DIVINYLSTILBENESULFONIC ACID DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-02-24 WO disclosed