SCHEMBL28317536

SCHEMBL28317536

CC(C)(C)CC(C)(C)c1ccc(OC(Cl)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
SHBG P04278 1/20 0.46
MDH1 P40925 10/20 0.43
MDH2 P40926 10/20 0.43
HIF1A Q16665 3/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 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
SCHEMBL31151825 0.81 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4SHBGMDH1MDH2
Hydrochloric Acid SCHEMBL10387366 0.79 SMN1; SMN2 (0.52) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL152841 0.79 CYP2C19 (0.46) SMN1; SMN2CYP3A4SHBGPPARA
SCHEMBL10387363 0.77 SMN1; SMN2 (0.47) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL8563107 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL8563110 0.76 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL28761267 0.76 SMN1; SMN2 (0.56) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL4619376 0.76 CYP3A4 (0.56) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL9237163 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4SHBGMDH1MDH2
SCHEMBL9237158 0.75 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4SHBGMDH1MDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110105434-A The polypeptide and application thereof of stitching and suture 哈佛大学的校长及成员们 2019-08-09 CN disclosed