SCHEMBL11989439

SCHEMBL11989439

O=C(NC(c1ccccc1)[C@H](O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 6/20 0.48
PSEN1 P49768 5/20 0.48
PSEN2 P49810 5/20 0.48
APH1B Q8WW43 5/20 0.48
NCSTN Q92542 5/20 0.48
APH1A Q96BI3 5/20 0.48
PSENEN Q9NZ42 5/20 0.48
BACE1 P56817 1/20 0.46
CYP3A4 P08684 6/20 0.43
TSHR P16473 4/20 0.43
CCR5 P51681 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL11988962 0.87 SPPL2A (0.53) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL11989387 0.77 SPPL2A (0.52) SPPL2ACYP3A4CCR5MEN1KMT2A
SCHEMBL6526847 0.76 BACE1 (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL11989338 0.76 MAPK1 (0.50) SPPL2ACYP3A4TSHRCCR5MEN1
SCHEMBL11989390 0.75 SPPL2A (0.46) SPPL2ACYP3A4TSHRCCR5KMT2A
SCHEMBL2584515 0.72 BACE1 (0.51) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL7462782 0.71 BACE1 (0.56) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL2582314 0.70 BACE1 (0.59) SPPL2APSEN1PSEN2APH1BNCSTN
SCHEMBL12067899 0.69 CTRB1 (0.54) CYP3A4TSHRALDH1A1CYP1A2CASP1
SCHEMBL12069802 0.69 CTRB1 (0.54) CYP3A4TSHRALDH1A1CYP1A2CASP1

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
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed