SCHEMBL4963669

SCHEMBL4963669

CCOC(=O)c1ccc(N)c(OCC)c1OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 2/20 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
SCHEMBL28750763 0.92 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL28351176 0.83 HSD17B10 (0.41) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL31228725 0.81 TSHR (0.52) ALDH1A1HSD17B10TSHRCA12CA1
SCHEMBL28126645 0.81 TSHR (0.55) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL23013457 0.79 NUDT1 (0.51) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL27571353 0.78 MAPT (0.52) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL3470803 0.78 MEN1 (0.52) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL55681 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL27883893 0.76 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRMEN1KMT2A
SCHEMBL14358812 0.75 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRMEN1KMT2A

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-1901708-A1 PERCUTANEOUSLY ABSORPTIVE OPHTHALMIC PREPARATION COMPRISING OLOPATADINE Senju Pharmaceutical Co., Ltd. (JP) 2008-03-26 EP disclosed
WO-2007007863-A1 PERCUTANEOUSLY ABSORPTIVE OPHTHALMIC PREPARATION COMPRISING OLOPATADINE SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-01-18 WO disclosed