SCHEMBL3456378

SCHEMBL3456378

Cc1cccc(C)c1COCC(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
SCN4A P35499 2/20 0.39
TACR1 P25103 5/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3456532 0.87 MMP8 (0.43) L3MBTL1SMN1; SMN2LMNAHSD17B10GAA
SCHEMBL17497672 0.79 SLC1A1 (0.54) CYP2C19SMN1; SMN2TACR1
SCHEMBL17497668 0.79 SLC1A1 (0.54) CYP2C19SMN1; SMN2TACR1
SCHEMBL19305351 0.79 SLC1A1 (0.54) CYP2C19SMN1; SMN2TACR1
SCHEMBL21049648 0.77 CYP2C19 (0.49) CYP2C19SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL31304908 0.74 CYP2C19 (0.46) CYP2C19SMN1; SMN2ALDH1A1LMNAHSD17B10
Methyl Alcohol SCHEMBL28310472 0.74 SCN4A (0.47) L3MBTL1SMN1; SMN2SCN4AALDH1A1LMNA
SCHEMBL2016945 0.73 CYP2C19 (0.52) CYP2C19SMN1; SMN2ALDH1A1LMNA
SCHEMBL27795423 0.72 LMNA (0.48) L3MBTL1CYP2C19SMN1; SMN2LMNA
SCHEMBL27141737 0.71 CHRM1 (0.56) L3MBTL1CYP2C19SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601251-B1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2014-11-12 EP disclosed
EP-2266946-A2 Compound For The Treatment Of Metabolic Disorders Wellstat Therapeutics Corporation (US) 2010-12-29 EP disclosed
EP-1601251-A4 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORP (US) 2007-03-28 EP disclosed
EP-1601251-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Wellstat Therapeutics Corporation (US) 2005-12-07 EP disclosed
WO-2004073611-A2 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2004-09-02 WO disclosed