SCHEMBL8468116

SCHEMBL8468116

CC[C@@H](C)[C@@H](NC(=O)CCCCCCCCCCCOC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
FAAH O00519 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.38
FPR2 P25090 2/20 0.38
ATM Q13315 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 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
SCHEMBL8467037 1.00 ALDH1A1 (0.47) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL8468115 1.00 ALDH1A1 (0.47) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL8467034 1.00 ALDH1A1 (0.47) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL8467070 0.93 ALDH1A1 (0.44) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL8469062 0.93 ALDH1A1 (0.44) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL8478495 0.86 KMT2A (0.46) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL8478492 0.86 KMT2A (0.46) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL13417062 0.85 ALDH1A1 (0.44) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL25419002 0.84 FAAH (0.61) ALDH1A1FAAHMEN1KMT2AMAPK1
SCHEMBL12350020 0.84 FAAH (0.61) ALDH1A1FAAHMEN1KMT2AMAPK1

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 8 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
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