SCHEMBL28809504

SCHEMBL28809504

CC(C)(C)OC(=O)C(C)(C)Cc1cccc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ALOX5 P09917 1/20 0.37
ALOX5AP P20292 1/20 0.37
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LCK P06239 2/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL23582227 0.83 ALOX5AP (0.45) KMT2AMEN1OPRM1OPRD1ALOX5
SCHEMBL27827809 0.83 ALDH1A1 (0.41) KMT2AMEN1OPRM1OPRD1ALOX5
SCHEMBL29914002 0.82 MEN1 (0.38) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL23582279 0.82 MEN1 (0.38) KMT2AMEN1OPRM1OPRD1ALDH1A1
SCHEMBL19873703 0.78 ALDH1A1 (0.38) KMT2AMEN1OPRM1OPRD1ALOX5
SCHEMBL26616825 0.78 NPSR1 (0.49) LMNALCKGAAHPGDPOLB
SCHEMBL11955022 0.75 CYP3A4 (0.42) CYP3A4TSHRALDH1A1GAAMAPT
SCHEMBL31357651 0.73 CNR2 (0.37) CYP3A4
SCHEMBL31357705 0.72 CTSL (0.35) ATM
SCHEMBL12468872 0.71 CYP1A2 (0.43) KMT2AMEN1LMNACYP3A4TSHR

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-114846013-B Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2024-12-20 CN disclosed
EP-4071147-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF Lg Chem, Ltd. (KR) 2022-10-12 EP disclosed
CN-114846013-A Novel aminoaryl derivatives useful as diacylglycerol acyltransferase 2 inhibitors and uses thereof 株式会社LG化学 2022-08-02 CN disclosed