SCHEMBL6208266

SCHEMBL6208266

[CH2]CCCC(NC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
MAPT P10636 1/20 0.53
PPARA Q07869 2/20 0.48
ATM Q13315 2/20 0.48
CTSK P43235 5/20 0.46
CTSS P25774 4/20 0.46
CTSL P07711 3/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
CTSB P07858 1/20 0.45
CTRB1 P17538 2/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL6621110 0.85 SYK (0.59) SYKMAPTPPARAATMCTSK
SCHEMBL3911384 0.84 SYK (0.70) SYKMAPTPPARAATMCTSK
SCHEMBL6936043 0.83 SYK (0.61) SYKMAPTPPARAATMCTSK
SCHEMBL7216424 0.83 SYK (0.61) SYKMAPTPPARAATMCTSK
SCHEMBL7594328 0.80 SYK (0.64) SYKMAPTPPARAATMCTSK
SCHEMBL16279636 0.80 MAPT (0.64) SYKMAPTPPARAATMCTSK
SCHEMBL15159954 0.79 SYK (0.67) SYKMAPTPPARAATMCTSK
SCHEMBL16279634 0.79 SYK (0.67) SYKMAPTPPARAATMCTSK
SCHEMBL6381541 0.79 SYK (0.60) SYKMAPTPPARAATMCTSK
SCHEMBL16824022 0.78 SYK (0.61) SYKMAPTPPARAATMCTSK

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-0709375-B1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-6147083-A NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. ZENECA LIMITED (GB) 2000-11-14 US disclosed
US-5998444-A ANTIASTHMA AGENTS; NEUROKININ ANTAGONIST ZENECA LTD. (GB) 1999-12-07 US disclosed
US-5710169-A NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA ZENECA LIMITED (GB) 1998-01-20 US disclosed
EP-0709375-A2 Therapeutic heterocycles ZENECA LIMITED (GB) 1996-05-01 EP disclosed