SCHEMBL8669416

SCHEMBL8669416

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 3/20 0.52
▸ ATM Q13315 1/20 0.48
▸ PSEN1 P49768 3/20 0.47
▸ PSEN2 P49810 3/20 0.47
▸ APH1B Q8WW43 3/20 0.47
▸ NCSTN Q92542 3/20 0.47
▸ APH1A Q96BI3 3/20 0.47
▸ PSENEN Q9NZ42 3/20 0.47
▸ APP P05067 4/20 0.46
▸ REN P00797 1/20 0.44
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL7270247 0.86 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7299571 0.86 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7305946 0.86 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7301095 0.86 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL3801376 0.86 CYP3A4 (0.50) KLK5CASP3
SCHEMBL16283136 0.84 KLK5 (0.59) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL15159955 0.84 KLK5 (0.59) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL3099765 0.84 CA2 (0.41) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8889416 0.82 KMT2A (0.47) CASP3
SCHEMBL8670056 0.82 KMT2A (0.47) CASP3

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-5763464-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-09 — — US disclosed
WO-1997019061-A1 RETROVIRAL AGENTS CONTAINING ANTHRANILAMIDE, SUBSTITUTED BENZAMIDE AND OTHER SUBUNITS, AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-05-29 — — WO disclosed
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