SCHEMBL1439525

SCHEMBL1439525

COCCOCC1CC(C(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR1H2 P55055 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ SRC P12931 4/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL1439523 1.00 HSD17B10 (0.38) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439585 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL29279251 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439790 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1841553 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL26791478 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL29279227 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439647 0.88 HSD17B10 (0.41) HSD17B10SMN1; SMN2NR1H2BTKCHRM2
SCHEMBL1439543 0.85 CYP1A2 (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL1439540 0.85 CYP1A2 (0.40) NR1H2CHRM2CHRM1CHRM3CYP1A2

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-2473502-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2012-07-11 — — EP disclosed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 — — EP disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 — — EP disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 — — WO disclosed
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