SCHEMBL7328544

SCHEMBL7328544

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

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.53
ITGB7 P26010 2/20 0.53
POLB P06746 3/20 0.52
TDP1 Q9NUW8 3/20 0.50
MAPT P10636 2/20 0.49
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTSS P25774 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46

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
SCHEMBL7328548 1.00 ITGA4 (0.53) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL10447913 1.00 ITGA4 (0.53) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL7316995 0.86 ITGA4 (0.54) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL23901563 0.85 ITGA4 (0.58) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL23999577 0.85 ITGA4 (0.58) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL10969556 0.84 TACR1 (0.53) POLBCTSSCTSLCTSBCTSK
SCHEMBL7436482 0.84 ITGA4 (0.53) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL7436535 0.84 ITGA4 (0.53) ITGA4ITGB7POLBTDP1MAPT
SCHEMBL2140333 0.83 POLB (0.53) POLBMAPT
SCHEMBL6903056 0.83 POLB (0.52) POLBTDP1MAPTNPSR1CTSS

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-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
EP-0364804-A1 Non-peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-04-25 EP disclosed
WO-1990003971-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-04-19 WO disclosed