SCHEMBL5907618

SCHEMBL5907618

CC(C)CCCNC(=O)CC(C)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
CNR1 P21554 1/20 0.36
ANPEP P15144 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35

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
SCHEMBL10088093 0.88 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL5907637 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TP53HPGDLMNA
SCHEMBL20581925 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL20581926 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL14984047 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL25445914 0.82 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL20581900 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL20581606 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL24692521 0.82 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2TP53HPGDKMT2A
SCHEMBL20581604 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TP53HPGDKMT2A

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-20060046286-A1 Method for preparing optically active beta-butyrolactones TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-02 US disclosed