SCHEMBL8014654

SCHEMBL8014654

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 3/20 0.51
HTT P42858 1/20 0.51
POLB P06746 2/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43

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
SCHEMBL8003306 0.77 TSHR (0.55) ALDH1A1TSHRHTTPOLBPKM
SCHEMBL8405651 0.76 ALDH1A1 (0.49) ALDH1A1TSHRHTTPOLBPKM
SCHEMBL8003307 0.76 ALDH1A1 (0.51) ALDH1A1TSHRHTTPOLBPKM
SCHEMBL8012949 0.75 BMP1 (0.52) ALDH1A1TSHRHTTPOLBPKM
SCHEMBL8012143 0.74 MMP2 (0.54) ALDH1A1TSHRHTTPOLBPKM
SCHEMBL27562106 0.74 CAMK2A (0.45) ALDH1A1TSHRHTTPOLBSMN1; SMN2
SCHEMBL8400807 0.73 ALDH1A1 (0.53) ALDH1A1TSHRHTTPOLBPKM
SCHEMBL8003278 0.73 BMP1 (0.52) ALDH1A1TSHRHTTPOLBPKM
Water SCHEMBL27502519 0.73 CAMK2A (0.45) ALDH1A1TSHRHTTPOLBSMN1; SMN2
SCHEMBL8400820 0.73 ALDH1A1 (0.49) ALDH1A1TSHRHTTPOLBPKM

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 4 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
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