SCHEMBL3487855

SCHEMBL3487855

CC(NC(=O)OCc1ccccc1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53
CTSK P43235 5/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
ATM Q13315 1/20 0.51
PPARA Q07869 2/20 0.51
CCR1 P32246 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ELANE P08246 1/20 0.48
CTRB1 P17538 2/20 0.48

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
SCHEMBL3483760 1.00 TP53 (0.53) TP53MEN1LMNAKMT2ACTSK
SCHEMBL1644719 1.00 TP53 (0.53) TP53MEN1LMNAKMT2ACTSK
SCHEMBL5898129 0.86 CTSK (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL5898328 0.86 ATM (0.60) TP53MEN1LMNAKMT2ACTSK
SCHEMBL5325045 0.86 CTSK (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL5325046 0.86 CTSK (0.59) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL4870019 0.85 CTSK (0.50) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL27752931 0.84 POLB (0.57) MEN1LMNAKMT2ACTSKCTSL
SCHEMBL16695336 0.83 PPARA (0.56) TP53MEN1KMT2ACTSKCTSL
SCHEMBL1644083 0.83 TP53 (0.55) TP53MEN1LMNAKMT2ACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247337-A Method for asymmetrically synthesizing 1, 2-trans-amino alcohol and derivative thereof 凯特立斯(深圳)科技有限公司 2023-12-19 CN disclosed
EP-2257536-A2 CYCLIC DIARYL ETHER AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009102893-A2 CYCLIC DIARYL ETHER COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 receptors AMIRA PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed