SCHEMBL5327904

SCHEMBL5327904

CC(C)(CC(=O)O)CC(=O)NC1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
HSD11B1 P28845 2/20 0.53
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EPHX2 P34913 2/20 0.49
EPHX1 P07099 4/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL3620374 0.91 HSD11B1 (0.61) ALDH1A1HSD11B1HPGDNPSR1EPHX2
SCHEMBL10132087 0.83 HSD11B1 (0.69) ALDH1A1HSD11B1HPGDNPSR1EPHX1
SCHEMBL9124247 0.82 HPGD (0.56) ALDH1A1HPGDNPSR1EPHX2EPHX1
SCHEMBL14748208 0.80 HPGD (0.55) ALDH1A1HPGDNPSR1EPHX2EPHX1
SCHEMBL2625524 0.80 SMN1; SMN2 (0.55) ALDH1A1HSD11B1HPGDNPSR1EPHX1
SCHEMBL12572628 0.78 SMN1; SMN2 (0.53) ALDH1A1HSD11B1HPGDNPSR1EPHX2
SCHEMBL13544829 0.77 HSD11B1 (0.61) ALDH1A1HSD11B1HPGDNPSR1EPHX2
SCHEMBL4958038 0.76 HPGD (0.50) ALDH1A1HPGDNPSR1EPHX2EPHX1
SCHEMBL11570602 0.76 NPSR1 (0.59) ALDH1A1HPGDNPSR1EPHX2EPHX1
SCHEMBL2625523 0.76 SMN1; SMN2 (0.50) ALDH1A1HSD11B1HPGDNPSR1EPHX1

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-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 WO disclosed