SCHEMBL2854249

SCHEMBL2854249

CC(=O)c1ccccc1OC(=O)[C@H](C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
KDM4E B2RXH2 6/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 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
SCHEMBL9850317 0.86 KDM4E (0.62) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL27999260 0.86 IRAK4 (0.62) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL7870130 0.86 KDM4E (0.45) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL19625924 0.86 KDM4E (0.62) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL9850320 0.86 KDM4E (0.62) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL16950258 0.84 KDM4E (0.42) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL2588916 0.82 ELANE (0.59) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL19100621 0.82 KDM4E (0.41) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL16139538 0.80 KDM4E (0.49) KMT2AIRAK4KDM4ELMNAALDH1A1
SCHEMBL642837 0.80 ELANE (0.43) KMT2AIRAK4KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831036-A1 PROCESS FOR PREPARING FLUOROLEUCINE ALKYL ESTERS Merck Sharp & Dohme Corp. (US) 2015-02-04 EP claimed
WO-2013148554-A1 PROCESS FOR PREPARING FLUOROLEUCINE ALKYL ESTERS MERCK SHARP & DOHME CORP. (US) 2013-10-03 WO claimed
EP-4072686-A1 ORAL CARE COMPOSITION WITH N-ACETYL AMINO ACID COMPONENTS FOR TREATING CARIES 3M Innovative Properties Company (US) 2022-10-19 EP disclosed
WO-2021116873-A1 ORAL CARE COMPOSITION WITH N-ACETYL AMINO ACID COMPONENTS FOR TREATING CARIES 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-06-17 WO disclosed
EP-3830074-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR Intervet International B.V. (NL) 2021-06-09 EP disclosed
WO-2020163721-A1 ANTI-CD47 ANTIBODIES AND USES THEREOF INTEGRITY BIOVENTURES, INC. (US) 2020-08-13 WO disclosed
WO-2020025748-A1 PROCESS TO MAKE A SELECTIVE CATHEPSIN CYSTEINE PROTEASE INHIBITOR INTERVET INTERNATIONAL B.V. (NL) 2020-02-06 WO disclosed
EP-2831036-A1 PROCESS FOR PREPARING FLUOROLEUCINE ALKYL ESTERS Merck Sharp & Dohme Corp. (US) 2015-02-04 EP disclosed
EP-2820033-A1 INTERLEUKIN-10 POLYPEPTIDE CONJUGATES AND THEIR USES Ambrx, Inc. (US) 2015-01-07 EP disclosed
WO-2013148554-A1 PROCESS FOR PREPARING FLUOROLEUCINE ALKYL ESTERS MERCK SHARP & DOHME CORP. (US) 2013-10-03 WO disclosed
WO-2013130913-A1 INTERLEUKIN-10 POLYPEPTIDE CONJUGATES AND THEIR USES AMBRX, INC. (US) 2013-09-06 WO disclosed
WO-2010051056-A2 ANTI-FcεRI POLYPEPTIDES AND THEIR USES AMBRX, INC. (US) 2010-05-06 WO disclosed