SCHEMBL8954294

SCHEMBL8954294

C=CC(c1ccccc1S)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8954462 0.83 SRC (0.33) SRCALDH1A1TSHRSMN1; SMN2
SCHEMBL10609449 0.81 GABRA1 (0.41) SRCALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL10816328 0.80 CA1 (0.39) SRCALDH1A1TSHRSMN1; SMN2
SCHEMBL88528 0.75 SRC (0.48) SRCALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL10889949 0.73 SRC (0.47) SRCALDH1A1MAPTTSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL9066051 0.73 SRC (0.47) SRCALDH1A1MAPTTSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28159633 0.73 SRC (0.47) SRCALDH1A1MAPTTSHRSMN1; SMN2
SCHEMBL5140754 0.71 NPC1 (0.40) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9555419 0.70 ALDH1A1 (0.33) ALDH1A1MAPTHDAC8TSHR
SCHEMBL10833260 0.69 MAPT (0.32) ALDH1A1MAPTHDAC8TSHR

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-5498605-A ANTIISCHEMIC AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-03-12 US disclosed
WO-1994002497-A1 SULFO-DERIVATIVES OF ADENOSINE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-03 WO disclosed