SCHEMBL7424869

SCHEMBL7424869

O=C(O)CCC(=NO)c1ccc2c3c(oc2c1)CCCCC3

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 6/20 0.41
NFKB1 P19838 4/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL7424866 1.00 KDM4E (0.47) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7427640 0.99 KDM4E (0.47) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7427638 0.99 KDM4E (0.47) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7478843 0.96 KDM4E (0.45) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7478838 0.96 KDM4E (0.45) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7427401 0.86 FHIT (0.43) KDM4EKMT2ANFKB1MEN1MAPT
SCHEMBL7427406 0.86 FHIT (0.43) KDM4EKMT2ANFKB1MEN1MAPT
SCHEMBL7428454 0.85 KDM4E (0.47) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7422283 0.84 KDM4E (0.48) KDM4EKMT2ANFKB1ALDH1A1MEN1
SCHEMBL7481793 0.81 ALDH1A1 (0.47) KDM4EKMT2ANFKB1ALDH1A1CYP1A2

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-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US claimed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
US-6350885-B1 TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURYSM, HEART FAILURE, LEFT VENTRICULAR DILATION, RESTENOSIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, TREATMENT OF BURNS, DECUBITAL ULCERS, WOUND HEALING AGENT WARNER-LAMBERT COMPANY 2002-02-26 US disclosed
WO-2000006560-A1 TRICYCLIC HETEROAROMATICS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed