SCHEMBL8581995

SCHEMBL8581995

COC(OC)c1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.49
ACHE P22303 2/20 0.42
CYP3A4 P08684 1/20 0.40
BCHE P06276 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL9838475 0.89 ELANE (0.42) ELANEACHECYP3A4BCHEL3MBTL1
SCHEMBL9178124 0.82 ELANE (0.46) ELANEACHECYP3A4BCHEL3MBTL1
SCHEMBL9350445 0.82 ELANE (0.36) ELANEACHEBCHEL3MBTL1
SCHEMBL9638837 0.81 ELANE (0.43) ELANEACHECYP3A4BCHE
Phosphonic Acid SCHEMBL9616586 0.81 ACHE (0.44) ELANEACHEBCHE
SCHEMBL9641949 0.80 ELANE (0.69) ELANECYP3A4
SCHEMBL5161247 0.79 ELANE (0.46) ELANE
SCHEMBL5162781 0.77 ELANE (0.44) ELANECYP3A4
SCHEMBL9871104 0.77 ELANE (0.52) ELANECYP3A4
Hydrochloric Acid SCHEMBL11186884 0.77 L3MBTL1 (0.48) ELANECYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015025172-A1 5-ARYL-THIAZOL-2-YL-AMINE COMPOUNDS AND THEIR THERAPEUTIC USE CHARLES MARK DAVID (GB) 2015-02-26 WO disclosed
EP-0497972-B1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX INC (US) 1998-12-23 EP disclosed
US-5831102-A HEAT RESISTANCE; STABILITY TROPIX, INC. (US) 1998-11-03 US disclosed
US-5543295-A ENZYMATICALLY CLEAVABLE; ANALYZING TROPIX, INC. (US) 1996-08-06 US disclosed
US-5330900-A Chemiluminescent 3-(substituted adamant-2'-ylidene) 1,2-dioxetanes TROPIX, INC. (US) 1994-07-19 US disclosed
US-5326882-A High speed bioassay TROPIX, INC. (US) 1994-07-05 US disclosed
EP-0497972-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-08-12 EP disclosed
US-5112960-A Enzyme cleavable 1,2-dioxetane compound APPLIED BIOSYSTEMS, LLC 1992-05-12 US disclosed
WO-1992004341-A1 CHEMILUMINESCENT 3-(SUBSTITUTED ADAMANT-2'-YLIDENE) 1,2-DIOXETANES TROPIX, INC. (US) 1992-03-19 WO disclosed