SCHEMBL7760301

SCHEMBL7760301

O=C(O)CCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.62
▸ MME P08473 1/20 0.53
▸ ECE1 P42892 1/20 0.53
▸ FOLH1 Q04609 3/20 0.51
▸ CAPN1 P07384 1/20 0.50
▸ CAPN2 P17655 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSB P07858 2/20 0.47
▸ CTSK P43235 1/20 0.47
▸ CTRB1 P17538 2/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA5A P35218 1/20 0.47

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
SCHEMBL9006385 0.97 HTT (0.57) HTTMMEECE1FOLH1CAPN1
SCHEMBL23451325 0.90 HTT (0.72) HTTMMEECE1FOLH1CAPN1
SCHEMBL23451326 0.90 HTT (0.72) HTTMMEECE1FOLH1CAPN1
SCHEMBL6850692 0.82 CTRB1 (0.59) MMEECE1CTSLCTSSCTSB
SCHEMBL7701531 0.82 CTRB1 (0.59) MMEECE1CTSLCTSSCTSB
SCHEMBL9825142 0.81 CTSL (0.50) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL11148538 0.80 MME (0.58) MMEECE1CTSLCTSSCTSB
SCHEMBL7757920 0.79 MME (0.59) MMEECE1CAPN1CTSLCTSS
SCHEMBL29467703 0.79 HTT (0.57) HTTMMEECE1FOLH1CAPN1
SCHEMBL30407736 0.79 HTT (0.57) HTTMMEECE1FOLH1CAPN1

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
EP-0691346-B1 Novel aspartyldipeptide derivatives and sweetener AJINOMOTO KK (JP) 2001-03-14 — — EP disclosed
US-5723165-A ARTIFICIAL SWEETENERS AJINOMOTO CO., INC. (JP) 1998-03-03 — — US disclosed
EP-0736037-A1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF L-ASPARTYL-D-$g(a)-AMINOALKANOYL-(S)-N-$g(a)-ALKYLBENZYL AMIDES USEFUL AS ARTIFICIAL SWEETENERS THE COCA-COLA COMPANY (US) 1996-10-09 — — EP disclosed
EP-0691346-A1 Novel aspartyldipeptide derivatives and sweetener Ajinomoto Co., Inc. (JP) 1996-01-10 — — EP disclosed
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