SCHEMBL8464935

SCHEMBL8464935

O=C(O)CCCCCCCCCCCc1c[nH]nn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.45
F13A1 P00488 3/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5534335 1.00 TBXAS1 (0.45) TBXAS1F13A1MAPTRXFP1PPARA
SCHEMBL5537212 1.00 TBXAS1 (0.45) TBXAS1F13A1MAPTRXFP1PPARA
SCHEMBL5536332 0.98 TBXAS1 (0.42) TBXAS1F13A1MAPTRXFP1PPARA
SCHEMBL5440242 0.93 HDAC3 (0.41) TBXAS1F13A1MAPTRXFP1PPARA
Hydrochloric Acid SCHEMBL15795539 0.91 HDAC3 (0.40) TBXAS1F13A1MAPTRXFP1LMNA
SCHEMBL8467504 0.86 TBXAS1 (0.35) TBXAS1
SCHEMBL1310865 0.85 KEAP1 (0.38) L3MBTL1
SCHEMBL7544559 0.85 PAOX (0.37) TBXAS1PPARALMNA
SCHEMBL8642111 0.83 HDAC3 (0.36) TBXAS1
SCHEMBL15795464 0.83 ALDH1A1 (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480901-B1 Azido-substituted fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1996-06-19 EP claimed
US-5338858-A Viricides WASHINGTON UNIVERSITY (US) 1994-08-16 US claimed
EP-0480901-A1 Azido-substituted fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1992-04-15 EP claimed
US-5981580-A IN WHICH THE CARBOXY-TERMINUS HAS BEEN MODIFIED TO FORM VARIOUS AMIDES, ESTERS, KETONES, ALCOHOLS, ALCOHOL ESTERS AND NITRITES THEREOF, AND ARE USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME G. D. SEARLE & CO. (US) 1999-11-09 US disclosed
WO-1999050229-A1 FATTY ACID ANALOGS AND PRODRUGS G.D. SEARLE & CO. (US) 1999-10-07 WO disclosed
US-5952377-A SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS; TREATING AIDS, LENTIVIRUSES SUCH AS THE HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed
US-5929110-A USEFUL AS SUBSTRATES FOR N-MYRISTOYLTRANSFERASE (NMT) AND/OR ITS ACYL COENZYME, AND AS ANTI-VIRAL AND ANTI-FUNGAL AGENTS OR PRO-DRUGS OF SUCH AGENTS G. D. SEARLE & CO. (US) 1999-07-27 US disclosed
US-5859052-A TREATING LENTIVIRUS INFECTIONS, ESPECIALLY HUMAN IMMUNODEFICIENCY VIRUS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
US-5744631-A Fatty acid analogs and prodrugs G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
US-5719290-A METHYLOXYUNDECYL- OR DECYLOXYETHYL-NITRILE OR TETRAZOLE DERIVATIVES; VIRICIDES G. D. SEARLE & CO. (US) 1998-02-17 US disclosed
US-5672769-A CHEMICAL INTERMEDIATES FOR VIRICIDES, FUNGICIDES G. D. SEARLE & CO. (US) 1997-09-30 US disclosed
US-5670650-A ANTIVIRAL AND ANTIFUNGAL AGENTS G. D. SEARLE & CO. (US) 1997-09-23 US disclosed
US-5599947-A VIRICIDES, FUNGICIDES OR THEIR PRODRUGS G. D. SEARLE & CO. (US) 1997-02-04 US disclosed
EP-0480901-B1 Azido-substituted fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1996-06-19 EP disclosed