SCHEMBL7467207

SCHEMBL7467207

Cc1ccc2c(c1)C(N(CCCCC(=O)O)S(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TRPV1 Q8NER1 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TSHR P16473 1/20 0.32
KCNE1 P15382 2/20 0.32
KCNQ1 P51787 2/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7471976 0.91 KCNE1 (0.33) AKR1B1MEN1KMT2APSEN1PSEN2
Hydrochloric Acid SCHEMBL8525004 0.84 MEN1 (0.31) MEN1KMT2ATRPV1
SCHEMBL7473128 0.83 KCNE1 (0.33) MEN1KMT2ATRPV1KCNE1KCNQ1
SCHEMBL6558694 0.81 HTR1A (0.31) TRPV1KCNE1KCNQ1
SCHEMBL7478336 0.81 MEN1 (0.36) MEN1KMT2AKCNE1KCNQ1LMNA
SCHEMBL7470195 0.77 KCNE1 (0.46) AKR1B1TRPV1KCNE1KCNQ1
SCHEMBL7477508 0.77 ALOX15 (0.39) MEN1KMT2ALMNAALDH1A1
SCHEMBL8481443 0.74 KCNE1 (0.49) MEN1KMT2AKCNE1KCNQ1SMN1; SMN2
SCHEMBL6602312 0.74 MAPT (0.35) MEN1KMT2ATRPV1KCNE1KCNQ1
SCHEMBL6559280 0.74 KCNE1 (0.33) MEN1KMT2AKCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed