SCHEMBL8848848

SCHEMBL8848848

CC(C)(C)C(=O)Oc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.40
PIN1 Q13526 1/20 0.36
GRK6 P43250 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL30554756 0.85 ACHE (0.48) PIN1CYP3A4MAPT
SCHEMBL29227277 0.85 ACHE (0.48) PIN1CYP3A4MAPT
SCHEMBL8848542 0.83 ELANE (0.51) ELANECA2
SCHEMBL27389222 0.82 MEN1 (0.53) PIN1GRK6MAPTSMN1; SMN2
SCHEMBL12896130 0.79 GABRA1 (0.48) MAPT
SCHEMBL8848754 0.78 GRK6 (0.37) ELANEGRK6CYP3A4MAPTCA2
SCHEMBL703677 0.77 DCUN1D1 (0.54) PIN1GRK6MAPT
SCHEMBL8848806 0.77 KDM4E (0.42) ELANEGRK6CYP3A4MAPTSMN1; SMN2
SCHEMBL13542931 0.77 ACHE (0.38) GRK6SMN1; SMN2
SCHEMBL4642463 0.76 CYP1A2 (0.49) PIN1GRK6

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
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US disclosed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP disclosed