SCHEMBL8790740

SCHEMBL8790740

O=S(=O)(Cc1ccccc1)OCC1CCCCO1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MGLL Q99685 2/20 0.47
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2953776 0.82 KMT2A (0.47) ALDH1A1MGLL
SCHEMBL7070229 0.79 KMT2A (0.47) ALDH1A1TSHRSMN1; SMN2
SCHEMBL29426173 0.78 SLC6A2 (0.49)
SCHEMBL21939075 0.78 MGLL (0.43) MGLL
SCHEMBL8189491 0.77 KMT2A (0.42) ALDH1A1TSHRSMN1; SMN2
SCHEMBL8790743 0.77 PKM (0.55) ALDH1A1MGLLTSHR
SCHEMBL16138331 0.75 MGLL (0.49) MGLL
SCHEMBL16138311 0.75 MGLL (0.49) MGLL
SCHEMBL16138316 0.75 MGLL (0.49) MGLL
SCHEMBL25308270 0.75 PDK1 (0.46) ALDH1A1TSHR

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-0785933-A1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS Pfizer Limited (GB) 1997-07-30 EP disclosed
WO-1996011195-A1 INDOLE DERIVATIVES AS 5HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1996-04-18 WO disclosed