SCHEMBL5272608

SCHEMBL5272608

CC(OC(=O)/C=C\C(=O)OC(C)C(NC(C)(C)C)Oc1nsnc1N1CCOCC1)C(NC(C)(C)C)Oc1nsnc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
BLM P54132 1/20 0.50
CYP1A2 P05177 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD1 P21728 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPA P38571 5/20 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
SCHEMBL11112482 0.96 SMN1; SMN2 (0.56) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10993216 0.83 TDP1 (0.56) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL3796363 0.83 TDP1 (0.56) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL8793041 0.83 TDP1 (0.56) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL2519561 0.75 SMN1; SMN2 (0.72) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL21688483 0.75 SMN1; SMN2 (0.72) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL1629066 0.75 SMN1; SMN2 (0.72) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10357600 0.75 CYP1A2 (0.48) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL7769366 0.75 SMN1; SMN2 (0.57) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL23789641 0.73 SMN1; SMN2 (0.68) ALDH1A1MAPTKDM4EHPGDALOX15

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
EP-1109546-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2001-06-27 EP claimed
WO-2000004898-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2000-02-03 WO claimed
EP-1848541-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS Pharmalight Inc. (US) 2007-10-31 EP disclosed
WO-2006082588-A2 METHOD AND DEVICE FOR OPHTHALMIC ADMINISTRATION OF ACTIVE PHARMACEUTICAL INGREDIENTS PHARMALIGHT INC. (US) 2006-08-10 WO disclosed
EP-1109546-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2001-06-27 EP disclosed
WO-2000004898-A1 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2000-02-03 WO disclosed