SCHEMBL8468129

SCHEMBL8468129

CCSCCCCCSCCCCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
FAAH O00519 5/20 0.44
TP53 P04637 2/20 0.44
SOAT1 P35610 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
BHMT Q93088 2/20 0.42
CES2 O00748 6/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8464832 0.98 TSHR (0.56) TSHRFAAHTP53SOAT1MEN1
SCHEMBL7452799 0.96 TSHR (0.58) TSHRFAAHTP53SOAT1MEN1
Hydrochloric Acid SCHEMBL7455001 0.93 TSHR (0.56) TSHRFAAHTP53SOAT1MEN1
SCHEMBL9883960 0.89
SCHEMBL14166874 0.87 FAAH (0.59) TSHRFAAHTP53SOAT1MEN1
SCHEMBL8464759 0.87 FAAH (0.59) TSHRFAAHTP53SOAT1MEN1
SCHEMBL9324927 0.87 FAAH (0.59) TSHRFAAHTP53SOAT1MEN1
SCHEMBL9860515 0.87 FAAH (0.59) TSHRFAAHTP53SOAT1MEN1
SCHEMBL7747844 0.87 FAAH (0.59) TSHRFAAHTP53SOAT1MEN1
SCHEMBL7748385 0.87 FAAH (0.59) TSHRFAAHTP53SOAT1MEN1

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