SCHEMBL6430655

SCHEMBL6430655

COc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1OCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
EHMT2 Q96KQ7 2/20 0.48
EHMT1 Q9H9B1 1/20 0.48
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
BCHE P06276 3/20 0.45
ACHE P22303 3/20 0.45
MCHR1 Q99705 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HIF1AN Q9NWT6 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL6431158 0.92 TSHR (0.47) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL5649656 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL374339 0.81 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL6434987 0.79 IDH1 (0.47) ALDH1A1HSD17B10MAPK1
SCHEMBL6433972 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL25616178 0.76 EHMT2 (0.66) ALDH1A1EHMT2EHMT1BCHEACHE
SCHEMBL20032548 0.74 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL19476848 0.73 EHMT2 (0.55) EHMT2EHMT1BCHEACHEMCHR1
SCHEMBL25260320 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPK1CASP1CASP7
SCHEMBL2176399 0.73 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPK1CASP1CASP7

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
EP-0929526-B1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-6809097-B1 ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY ZENECA LIMITED (GB) 2004-10-26 US disclosed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO disclosed