SCHEMBL25812337

SCHEMBL25812337

CC(C)C(=O)CCOCCNC(=O)CCC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.40
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
CASP2 P42575 1/20 0.32
ADRB2 P07550 2/20 0.32
ADRB1 P08588 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HTR1A P08908 1/20 0.31
CNR1 P21554 1/20 0.31
GLP1R P43220 2/20 0.31

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
SCHEMBL20226534 0.98 MEN1 (0.49) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL19004791 0.95 MEN1 (0.52) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL26412077 0.95 MEN1 (0.47) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL23386933 0.93 MEN1 (0.50) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL25813075 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL20226725 0.90 MEN1 (0.45) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL24700122 0.90 CASP2 (0.44) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL24725436 0.90 MEN1 (0.43) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL24002279 0.90 KMT2A (0.51) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL21152802 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1CA12CA1

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-20230203579-A1 NANOARRAYS AND METHODS OF USE THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-06-29 US disclosed