SCHEMBL8660600

SCHEMBL8660600

CC(C)(C)ON(C=O)[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)N(C=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.34
CTSB P07858 4/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAOB P27338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL6931771 0.86 SLC15A1 (0.39) ATMTAAR1
SCHEMBL6925970 0.82 SLC15A1 (0.42) ABCB1MEN1KMT2A
SCHEMBL6931618 0.81 KLK5 (0.48) ATMCTSBCTSLCTSK
SCHEMBL28233244 0.78 CYP1A2 (0.41) ATMALDH1A1
SCHEMBL7273532 0.76 ABCB1 (0.40) ABCB1CTSBMEN1KMT2AALDH1A1
SCHEMBL6400372 0.75 OPRK1 (0.40) ATMCTSBMEN1KMT2ATAAR1
SCHEMBL4729192 0.75 OPRK1 (0.40) ATMCTSBMEN1KMT2ATAAR1
SCHEMBL27507556 0.74 ATM (0.41) ATMMEN1KMT2AALDH1A1
SCHEMBL6165008 0.74 TAAR1 (0.38) L3MBTL1ATMCTSBMEN1KMT2A
SCHEMBL10686536 0.74 CYP1A2 (0.43) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728718-A RETROVIRAL PROTEASE INHIBITOR; TREATMENT OF HTLV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-03-17 US disclosed