SCHEMBL13845396

SCHEMBL13845396

CC(C)C[C@H](N)C(=O)O[C@@H]1C[C@H](C)CCC1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.51
ALDH1A1 P00352 9/20 0.50
HPGD P15428 2/20 0.50
CYP19A1 P11511 2/20 0.49
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL13086630 1.00 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL9561875 1.00 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL13086627 1.00 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL27607740 0.89 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL27607737 0.89 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL27607749 0.87 EPHX1 (0.50) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL27607748 0.87 EPHX1 (0.50) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL28149034 0.87 EPHX1 (0.50) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL17459803 0.87 EPHX1 (0.50) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL9561897 0.86 EPHX1 (0.49) EPHX1ALDH1A1HPGDCYP19A1MAPT

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-2009060160-A1 P38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2009-05-14 WO disclosed