SCHEMBL7400099

SCHEMBL7400099

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CCC(C)C)C(=O)NC(C)(C)C)[C@@H](C)CC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.49
CTSD P07339 2/20 0.49
PSEN1 P49768 14/20 0.49
PSEN2 P49810 14/20 0.49
APH1B Q8WW43 14/20 0.49
NCSTN Q92542 14/20 0.49
APH1A Q96BI3 14/20 0.49
PSENEN Q9NZ42 14/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 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
SCHEMBL8605875 0.90 PSEN1 (0.56) RENCTSDPSEN1PSEN2APH1B
SCHEMBL7405000 0.90 REN (0.45) RENCTSDPSEN1PSEN2APH1B
SCHEMBL6431948 0.89 CTSB (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6431945 0.89 CTSB (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7402232 0.88 CTSD (0.46) RENCTSDPSEN1PSEN2APH1B
SCHEMBL7394330 0.86 CTSD (0.49) RENCTSDPSEN1PSEN2APH1B
SCHEMBL8664644 0.86 CTSD (0.48) RENCTSDPSEN1PSEN2APH1B
SCHEMBL7403620 0.85 CTSD (0.47) RENCTSDPSEN1PSEN2APH1B
SCHEMBL7396675 0.85 CTSD (0.47) RENCTSDPSEN1PSEN2APH1B
SCHEMBL7401649 0.84 CTRB1 (0.48) RENLMNA

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-5750648-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1998-05-12 US claimed
WO-1995006061-A1 RETROVIRAL PROTEASE INHIBITORS AND COMBINATIONS THEREOF G.D. SEARLE & CO. (US) 1995-03-02 WO claimed