SCHEMBL23536176

SCHEMBL23536176

COCCOCCOCCN(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
CASP3 P42574 1/20 0.45
NR1I2 O75469 1/20 0.45
CCR5 P51681 1/20 0.43
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RORC P51449 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
USP2 O75604 1/20 0.41
PTGES O14684 1/20 0.40
LIPG Q9Y5X9 1/20 0.40

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
SCHEMBL19001342 0.90 MAPK1 (0.55) LMNAMAPK1ALDH1A1HTTCASP3
SCHEMBL23535999 0.86 SIGMAR1 (0.51) LMNAALDH1A1HTTCASP3TDP1
SCHEMBL23536311 0.85 CASP3 (0.46) LMNAMAPK1ALDH1A1HTTCASP3
SCHEMBL29948505 0.85 CA2 (0.50) LMNAALDH1A1HTTCASP3CDK1
SCHEMBL21565813 0.84 ALDH1A1 (0.53) LMNAMAPK1ALDH1A1HTTCCR5
SCHEMBL23536539 0.80 CASP3 (0.43) LMNAMAPK1ALDH1A1HTTCASP3
Lithium Ion SCHEMBL28867464 0.80 CASP3 (0.43) LMNAMAPK1ALDH1A1HTTCASP3
SCHEMBL5128119 0.80 ALDH1A1 (0.55) LMNAMAPK1ALDH1A1HTTCCR5
SCHEMBL21169198 0.80 LMNA (0.49) LMNAMAPK1ALDH1A1HTTNR1I2
SCHEMBL28867383 0.80 TDP1 (0.43) LMNAALDH1A1HTTCASP3L3MBTL1

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
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed