SCHEMBL8404013

SCHEMBL8404013

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 2/20 0.48
MMP1 P03956 2/20 0.48
HTT P42858 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
BMP1 P13497 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEP1B Q16820 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MMP8 P22894 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
SCHEMBL8400807 0.87 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRPOLBPKM
SCHEMBL8406398 0.84 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRPOLBPKM
SCHEMBL8403382 0.81 MMP9 (0.45) MMP1MMP2MMP3BMP1MEP1B
SCHEMBL8404841 0.80 BMP1 (0.43) MMP1MMP2MMP3BMP1MEP1B
SCHEMBL8013077 0.80 BMP1 (0.55) ALDH1A1TSHRPOLBPKMMMP1
SCHEMBL8012143 0.80 MMP2 (0.54) ALDH1A1HSD17B10TSHRPOLBPKM
SCHEMBL8400820 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRPOLBPKM
SCHEMBL8403388 0.80 TSHR (0.55) ALDH1A1HSD17B10TSHRPOLBPKM
SCHEMBL8405651 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10TSHRPOLBPKM
SCHEMBL8015007 0.79 BMP1 (0.52) ALDH1A1HSD17B10TSHRPOLBPKM

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