SCHEMBL10985113

SCHEMBL10985113

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MME P08473 2/20 0.49
▸ ECE1 P42892 2/20 0.49
▸ TACR1 P25103 2/20 0.49
▸ CAPN1 P07384 2/20 0.48
▸ CTRB1 P17538 2/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48

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 0.91 MME (0.58) CTSLCTSBCTSSCTSKMME
SCHEMBL8761906 0.90 CTSL (0.52) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL10934632 0.90 ALDH1A1 (0.57) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL10986547 0.88 MME (0.52) CTSLCTSBCTSSCTSKMME
SCHEMBL8761927 0.88 ECE1 (0.55) CTSLCTSBCTSSCTSKMME
SCHEMBL11146459 0.86 MME (0.61) CTSLCTSBCTSSCTSKMME
SCHEMBL11211146 0.86 TSHR (0.57) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL526571 0.85 CTSK (0.60) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL1643830 0.85 CTSK (0.60) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL1643831 0.85 CTSK (0.60) CTSLCTSBCTSSCTSKALDH1A1

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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