SCHEMBL10986547

SCHEMBL10986547

O=C(N[C@H](C(=O)N[C@H](CO)C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.52
▸ TACR1 P25103 2/20 0.51
▸ ECE1 P42892 4/20 0.51
▸ CTRB1 P17538 2/20 0.50
▸ CTSL P07711 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 1/20 0.50
▸ CAPN1 P07384 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
SCHEMBL11148538 0.93 MME (0.58) MMETACR1ECE1CTRB1CTSL
SCHEMBL10993222 0.92 CTSL (0.54) MMETACR1ECE1CTRB1CTSL
SCHEMBL8761906 0.89 CTSL (0.52) MMETACR1ECE1CTRB1CTSL
SCHEMBL11146459 0.88 MME (0.61) MMETACR1ECE1CTSLCTSB
SCHEMBL10985113 0.88 CTSL (0.51) MMETACR1ECE1CTRB1CTSL
SCHEMBL8761927 0.87 ECE1 (0.55) MMETACR1ECE1CTSLCTSB
SCHEMBL11792700 0.87 CYP3A4 (0.52) MMETACR1ECE1CTRB1CTSL
SCHEMBL10934632 0.87 ALDH1A1 (0.57) TACR1CTSLCTSBCTSSCTSK
SCHEMBL20485154 0.85 CASP3 (0.62) MMEECE1CTSLCTSBCTSS
SCHEMBL22811283 0.85 CASP3 (0.62) MMEECE1CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517379-A ARTIFICIAL SWEETENER PFIZER INC. (US) 1985-05-14 — — US disclosed
EP-0069811-B1 BRANCHED AMIDES OF L-ASPARTYL-D-AMINO ACID DIPEPTIDES AND COMPOSITIONS THEREOF PFIZER INC. (US) 1984-10-24 — — EP disclosed
US-4454328-A SWEETENERS PFIZER INC. (US) 1984-06-12 — — US disclosed
US-4399163-A ARTIFICIAL SWEETENERS PFIZER INC. (US) 1983-08-16 — — US disclosed
EP-0069811-A1 Branched amides of L-aspartyl-D-amino acid dipeptides and compositions thereof PFIZER INC. (US) 1983-01-19 — — EP disclosed
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