SCHEMBL9011705

SCHEMBL9011705

COC[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(NC(=O)[C@H](COC)NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.50
CTSL P07711 4/20 0.47
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
CTSB P07858 3/20 0.47
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL7276185 0.89 CTSL (0.52) RENCTSLCTSSCTSKCTSB
SCHEMBL9011706 0.85 CTSS (0.51) RENCTSLCTSSCTSKCTSB
SCHEMBL7329100 0.83 CTSK (0.51) RENCTSLCTSSCTSKCTSB
SCHEMBL7434284 0.83 CTSK (0.51) RENCTSLCTSSCTSKCTSB
SCHEMBL7429221 0.82 CTSK (0.52) RENCTSLCTSSCTSKCTSB
SCHEMBL9012671 0.82 REN (0.47) RENCTSLCTSSCTSKPSEN1
SCHEMBL7294910 0.78 CTSK (0.53) RENCTSLCTSSCTSKCTSB
SCHEMBL7278761 0.78 REN (0.50) RENCTSLCTSSCTSKCTSB
SCHEMBL10445293 0.76 REN (0.46) RENCTSLCTSSCTSKCTSB
SCHEMBL8372704 0.75 CTSB (0.61) RENCTSLCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed