SCHEMBL7706652

SCHEMBL7706652

N[C@@H](CCC(=O)O)C(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.68
HDAC8 Q9BY41 1/20 0.63
TRPV1 Q8NER1 11/20 0.61
PTGS2 P35354 5/20 0.61
FAAH O00519 2/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
NPSR1 Q6W5P4 3/20 0.61
CYP3A4 P08684 2/20 0.61
MAPT P10636 2/20 0.61
BLM P54132 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
IDO1 P14902 1/20 0.61
HPGD P15428 1/20 0.61
NOTUM Q6P988 1/20 0.61
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTR1A P08908 1/20 0.56
ADORA3 P0DMS8 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
SCHEMBL24277478 0.86 SPR (0.74) SPRHDAC8TRPV1PTGS2FAAH
SCHEMBL6399249 0.86 SPR (0.74) SPRHDAC8TRPV1PTGS2FAAH
SCHEMBL20168578 0.86 HDAC8 (0.77) SPRHDAC8TRPV1PTGS2FAAH
SCHEMBL29804259 0.86 HDAC8 (0.77) SPRHDAC8TRPV1PTGS2FAAH
SCHEMBL20168582 0.86 HDAC8 (0.77) SPRHDAC8TRPV1PTGS2FAAH
SCHEMBL1132347 0.85 CTSC (0.72) HDAC8FAAHKDM4EALDH1A1CYP3A4
SCHEMBL18381197 0.85 CTSC (0.72) HDAC8FAAHKDM4EALDH1A1CYP3A4
SCHEMBL1132363 0.85 CTSC (0.72) HDAC8FAAHKDM4EALDH1A1CYP3A4
SCHEMBL1132343 0.85 CTSC (0.76) SPRHDAC8TRPV1PTGS2FAAH
SCHEMBL2824991 0.85 TRPV1 (0.64) SPRHDAC8TRPV1PTGS2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6368788-B1 IMMUNOSUPPRESSANTS FOR HTLV AND VIRICIDES CYTRAN, INC. 2002-04-09 US disclosed
US-5811399-A Pharmaceutical dipeptide compositions and methods of use thereof: immunodepressants CYTRAN, INC. (US) 1998-09-22 US disclosed
US-5807830-A ADMINISTERING GLUTAMIC ACID, TRYPTOPHAN DIPEPTIDE CYTOVEN J.V. (US) 1998-09-15 US disclosed
US-5770576-A ADMINISTERING GLUTAMIC ACID-TRYPTOPHAN DIPEPTIDE TO STIMULATE BINDING FUNCTION OF T-LYMPHOCYTES CYTRAN, INC. (US) 1998-06-23 US disclosed