SCHEMBL8400820

SCHEMBL8400820

CCOC(=O)C1CCN(C(=O)CCN(CC(OC(C)(C)C)C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 4/20 0.46
BMP1 P13497 2/20 0.45
MMP1 P03956 1/20 0.45
MMP8 P22894 1/20 0.45
PKM P14618 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL8405651 0.85 ALDH1A1 (0.49) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8403388 0.85 TSHR (0.55) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8403426 0.84 TSHR (0.48) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8400808 0.84 BMP1 (0.44) BMP1MMP1MMP8
SCHEMBL8013000 0.83 BMP1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8003278 0.82 BMP1 (0.52) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8012143 0.82 MMP2 (0.54) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8406398 0.81 ALDH1A1 (0.51) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8400807 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHTTSMN1; SMN2POLB
SCHEMBL8013077 0.81 BMP1 (0.55) ALDH1A1TSHRHTTSMN1; SMN2POLB

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-0922030-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-06-16 EP disclosed
WO-1998007697-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-02-26 WO disclosed