SCHEMBL8750885

SCHEMBL8750885

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.66
CTSB P07858 5/20 0.63
CTSS P25774 1/20 0.63
CTSK P43235 1/20 0.63
TACR1 P25103 2/20 0.61

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
SCHEMBL8750928 0.92 TACR1 (0.67) CTSLCTSBCTSSCTSKTACR1
SCHEMBL29480462 0.90 CTSL (0.66) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7269411 0.87 TACR1 (0.67) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7295888 0.87 TACR1 (0.67) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6440663 0.87 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6440666 0.87 CTSL (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10518020 0.87 CTRB1 (0.54) CTSLCTSBCTSSCTSK
SCHEMBL4007938 0.86 CTSL (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10795546 0.86 CTSL (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7608557 0.86 CTSL (0.61) CTSLCTSBCTSSCTSKTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561303-B1 Conjugates of phenylalanine-glycine with antitumor substances KUREHA CHEMICAL IND CO LTD (JP) 1997-02-26 EP disclosed
US-5411964-A Phenylalanine-glycine compounds having anti-tumor activity, process for preparation thereof, and pharmaceutical composition containing said compounds KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-05-02 US disclosed
EP-0561303-A2 Conjugates of phenylalanine-glycine with antitumor substances KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-22 EP disclosed