SCHEMBL25978540

SCHEMBL25978540

CN(C)CCN(C)C(=O)OCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.50
LMNA P02545 1/20 0.48
KCNH2 Q12809 1/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
NR4A2 P43354 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NAAA Q02083 1/20 0.42
PRSS1 P07477 1/20 0.42
TPSAB1 Q15661 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NR2F2 P24468 1/20 0.41
APP P05067 1/20 0.41
MAPT P10636 1/20 0.41
NR4A1 P22736 1/20 0.40

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
SCHEMBL25750941 0.90 ESRRG (0.49) ESRRGLMNAKCNH2RAB9AMEN1
SCHEMBL25748676 0.89 ESRRG (0.48) ESRRGLMNAKCNH2RAB9AMEN1
SCHEMBL26553066 0.86 ESRRG (0.49) ESRRGLMNARAB9AMEN1KMT2A
SCHEMBL27439177 0.83 ESRRG (0.43) ESRRGLMNARAB9AMEN1KMT2A
SCHEMBL25567572 0.82 PHLPP2 (0.49) LMNAKCNH2L3MBTL1SMN1; SMN2NPC1
SCHEMBL25978639 0.81 ALDH1A1 (0.53) KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL25978782 0.79 MEN1 (0.48) LMNARAB9AMEN1KMT2AL3MBTL1
SCHEMBL25964229 0.77 SMN1; SMN2 (0.53) ESRRGLMNAKCNH2RAB9AMEN1
SCHEMBL14587224 0.76 ESRRG (0.64) ESRRGLMNAKCNH2RAB9ANPC1
SCHEMBL7367495 0.76 ALDH1A1 (0.58) LMNAKMT2AL3MBTL1ALDH1A1MAPT

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
EP-4223318-A1 ANTITUMOR COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2023-08-09 EP disclosed