SCHEMBL8848754

SCHEMBL8848754

Cc1cc(-c2nnn[nH]2)ccc1OC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.37
ELANE P08246 10/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
AR P10275 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRB2 P07550 1/20 0.33
DGAT1 O75907 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL8848806 0.86 KDM4E (0.42) GRK6ELANEMAPTLMNAALDH1A1
SCHEMBL8848542 0.80 ELANE (0.51) ELANECA2
SCHEMBL8848848 0.78 ELANE (0.40) GRK6ELANEMAPTCYP3A4CA2
SCHEMBL6608296 0.78 GRK6 (0.45) GRK6MAPTLMNAALDH1A1NPSR1
SCHEMBL8848538 0.75 ELANE (0.48) ELANEMAPTLMNAALDH1A1NPSR1
SCHEMBL22641752 0.74 HSD17B1 (0.42) ELANEMAPTLMNAALDH1A1CYP3A4
SCHEMBL5822962 0.72 NOTUM (0.41) MAPTALDH1A1
SCHEMBL19317257 0.72 CYP1A2 (0.33)
SCHEMBL6611955 0.71 FGFR1 (0.46) CYP3A4AR
SCHEMBL2967259 0.71 VDR (0.67) AR

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