SCHEMBL5907660

SCHEMBL5907660

CC(O)CC(=O)NC1CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMYD3 Q9H7B4 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
EPHX1 P07099 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL14748218 0.92 EPHX1 (0.47) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL5907681 0.92 HPGD (0.53) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL5907615 0.92 HPGD (0.57) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL5907626 0.90 HPGD (0.55) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL14748252 0.90 HPGD (0.55) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL5067337 0.84 RAB9A (0.49) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL18199497 0.84 RAB9A (0.49) HPGDCYP3A4CYP2C19RAB9ALMNA
SCHEMBL21640354 0.82 RAB9A (0.37) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL13448265 0.81 HTR2A (0.39) HPGDCYP3A4CYP2C19RAB9ASMYD3
SCHEMBL23520817 0.81 HPGD (0.46) HPGDCYP3A4CYP2C19RAB9ALMNA

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