SCHEMBL8467166

SCHEMBL8467166

COCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.62
ITGB3 P05106 4/20 0.58
ITGA2B P08514 4/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
ACE P12821 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL8466442 1.00 FAAH (0.62) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL9218164 1.00 FAAH (0.62) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL8135959 0.95 ACE (0.59) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL9223275 0.93 FAAH (0.57) FAAHITGB3ITGA2BHDAC1HDAC6
SCHEMBL23201777 0.89 PSMB5 (0.63) FAAHITGB3ITGA2BACE
SCHEMBL21583746 0.89 PSMB5 (0.63) FAAHITGB3ITGA2BACE
SCHEMBL8750017 0.89 FAAH (0.70) FAAHHDAC1HDAC6ACEHDAC3
SCHEMBL9575948 0.88 HDAC1 (0.60) FAAHHDAC1HDAC6HDAC3HDAC4
SCHEMBL2806565 0.87 FAAH (0.67) FAAHHDAC1HDAC6ACEHDAC3
SCHEMBL2806570 0.87 FAAH (0.67) FAAHHDAC1HDAC6ACEHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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