SCHEMBL23084126

SCHEMBL23084126

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
FPR2 P25090 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 2/20 0.35
ANPEP P15144 1/20 0.35
CA1 P00915 1/20 0.35
HTT P42858 2/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPEP Q07075 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTSS P25774 1/20 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
SCHEMBL12537194 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL8354598 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL18771241 0.83 ALDH1A1 (0.46) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL5988691 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL12018403 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL3265293 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL25003577 0.74 ELANE (0.42) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL23262700 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2AANPEP
SCHEMBL20793415 0.74 ALDH1A1 (0.44) ALDH1A1L3MBTL1FPR2MEN1KMT2A
SCHEMBL20793416 0.74 ALDH1A1 (0.44) ALDH1A1L3MBTL1FPR2MEN1KMT2A

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
WO-2021046307-A1 HYBRIDIZED POLY(AMIDOAMINE)-AMINO ACID DENDRIMERS NORTH CAROLINA STATE UNIVERSITY (US) 2021-03-11 WO disclosed