SCHEMBL8003306

SCHEMBL8003306

CCOC(=O)C1CCN(C(=O)CCN(CC(=O)N(O)C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
HTT P42858 1/20 0.54
ALDH1A1 P00352 7/20 0.53
POLB P06746 3/20 0.49
PKM P14618 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL8016087 0.91 TSHR (0.49) TSHRHTTALDH1A1POLBSMN1; SMN2
Water SCHEMBL8018794 0.90 TSHR (0.49) TSHRHTTALDH1A1POLBSMN1; SMN2
SCHEMBL27540154 0.87 MMP3 (0.48) TSHRHTTALDH1A1POLBSMN1; SMN2
SCHEMBL8014852 0.82 MMP3 (0.48) ALDH1A1PKMLMNATP53ALOX15
SCHEMBL8014840 0.81 MMP3 (0.46) TSHRALDH1A1POLBPKMSMN1; SMN2
SCHEMBL8405651 0.80 ALDH1A1 (0.49) TSHRHTTALDH1A1POLBPKM
SCHEMBL8400807 0.79 ALDH1A1 (0.53) TSHRHTTALDH1A1POLBPKM
SCHEMBL8014654 0.77 ALDH1A1 (0.53) TSHRHTTALDH1A1POLBPKM
SCHEMBL8403388 0.77 TSHR (0.55) TSHRHTTALDH1A1POLBPKM
SCHEMBL8404013 0.77 ALDH1A1 (0.51) TSHRHTTALDH1A1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153609-A Arylsulfonylamino hydroxamic acid derivatives PFIZER INC (US) 2000-11-28 US claimed
EP-0922030-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1999-06-16 EP claimed
WO-1998007697-A1 ARYLSULFONYLAMINO HYDROXAMIC ACID DERIVATIVES PFIZER INC. (US) 1998-02-26 WO claimed
US-6153609-A Arylsulfonylamino hydroxamic acid derivatives PFIZER INC (US) 2000-11-28 US disclosed
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