SCHEMBL25560484

SCHEMBL25560484

CCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
GLP1R P43220 3/20 0.32

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
SCHEMBL23386933 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL19491599 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL20226534 0.88 MEN1 (0.49) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL26412077 0.88 MEN1 (0.47) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL22909325 0.87 MEN1 (0.47) MEN1KMT2ARECQLSMN1; SMN2GLP1R
SCHEMBL25546664 0.87 MEN1 (0.47) MEN1KMT2ARECQLSMN1; SMN2GLP1R
SCHEMBL24700122 0.87 CASP2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL22526369 0.87 MEN1 (0.47) MEN1KMT2ARECQLSMN1; SMN2GLP1R
SCHEMBL20223530 0.86 KMT2A (0.46) MEN1KMT2AALDH1A1CA12CA1
SCHEMBL25812337 0.86 MEN1 (0.46) 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-20230167450-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-06-01 US disclosed