SCHEMBL7705028

SCHEMBL7705028

CC(O)C(O)(CCO)CC(=O)N(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 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
SCHEMBL1615550 0.72 HMGCR (0.36)
SCHEMBL1031007 0.72 HMGCR (0.36)
SCHEMBL28193961 0.70 FFAR1 (0.37)
SCHEMBL27490885 0.67
SCHEMBL21340136 0.66 CPT2 (0.39)
SCHEMBL4369859 0.65 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA4
SCHEMBL680882 0.65 ALDH1A1 (0.40) CHRNB2CHRNB4CHRNA4
SCHEMBL6130564 0.65
SCHEMBL14534206 0.65 TSHR (0.32)
SCHEMBL9949951 0.64 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353124-B1 NONSTEROIDAL ANTIINFLAMMATORY AGENTS (ASPIRIN, INDOMETHACIN, OR IBUPROFEN) LINKED BY TRIS AMINE OR ETHANOLAMINE DERIVATIVE TO THE ACYL GROUPS OF FATTY ACIDS; IMPROVED TRANSDERMAL DELIVERY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-03-05 US disclosed
EP-0712389-B1 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMW SCIENT IND RES ORG (AU) 2001-01-24 EP disclosed
US-5792786-A SUSTAINED AND PROLONGED WOUND HEALING AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-08-11 US disclosed
EP-0712389-A4 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMW SCIENT IND RES ORG (AU) 1997-04-09 EP disclosed
EP-0712389-A1 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1996-05-22 EP disclosed
WO-1995004030-A1 THERAPEUTIC COMPOUND - FATTY ACID CONJUGATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1995-02-09 WO disclosed
US-4672076-A Non-steroidal anti-inflammatory compounds and compositions thereof WARNER-LAMBERT COMPANY (US) 1987-06-09 US disclosed
US-4568696-A DIPHENYL KETONE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1986-02-04 US disclosed
US-4562194-A BENZOPHENONE COMPOUND IN COMBINATION WITH 3-ISOBUTYL-1-METHYLANTHINE WARNER-LAMBERT COMPANY (US) 1985-12-31 US disclosed
US-4559328-A ANALGESICS, ANTISWELLING AGENTS WARNER-LAMBERT COMPANY (US) 1985-12-17 US disclosed
US-4530844-A Containing diphenyl ketone compound WARNER-LAMBERT COMPANY (US) 1985-07-23 US disclosed