SCHEMBL7846611

SCHEMBL7846611

O=S(=O)(c1ccc2ccccc2c1)N1CC(OCc2ccccc2)CC1CO

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.52
BDKRB2 P30411 2/20 0.52
AKR1C3 P42330 3/20 0.42
AKR1C1 Q04828 1/20 0.42
CCR4 P51679 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MC4R P32245 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.39
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
ECE1 P42892 1/20 0.39
MCL1 Q07820 1/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL6946762 1.00 MMP9 (0.52) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL6951034 0.90 MMP9 (0.53) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL6945270 0.90 MMP9 (0.53) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL6949077 0.87 MMP9 (0.50) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL7844033 0.87 MMP9 (0.50) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL5404212 0.82 LMNA (0.44) AKR1C3AKR1C1CCR4ALDH1A1LMNA
SCHEMBL5404204 0.82 LMNA (0.44) AKR1C3AKR1C1CCR4ALDH1A1LMNA
SCHEMBL5406593 0.79 AKR1C3 (0.43) MMP9AKR1C3AKR1C1CCR4ALDH1A1
SCHEMBL6818867 0.78 ECE1 (0.52) AKR1C3AKR1C1ALDH1A1LMNASMN1; SMN2
SCHEMBL5421626 0.78 LMNA (0.41) AKR1C3AKR1C1ALDH1A1LMNASMN1; SMN2

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-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP disclosed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 WO disclosed