SCHEMBL7797337

SCHEMBL7797337

C=C(C)C(=O)OCC(C)(C)COC(=O)C12CC3CC(C1)CC(C(=O)OCC(C)(C)COC(=O)C(=C)C)(C3)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.35
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 2/20 0.34
ABL1 P00519 1/20 0.34
TSHR P16473 1/20 0.34
RIN1 Q13671 1/20 0.34
PRKCA P17252 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
SCHEMBL6559851 0.83 NPSR1 (0.58) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7120797 0.82 ALDH1A1 (0.42) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL7131314 0.82 ALDH1A1 (0.42) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL18031806 0.81 ALDH1A1 (0.46) NPSR1L3MBTL1ALDH1A1LMNAABL1
SCHEMBL7801826 0.81 SMN1; SMN2 (0.42) ALDH1A1TSHR
SCHEMBL7799311 0.81 NPSR1 (0.56) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7791073 0.81 NPSR1 (0.56) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7797332 0.80 NPSR1 (0.55) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7797293 0.80 NPSR1 (0.55) NPSR1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18031814 0.80 ALDH1A1 (0.40) NPSR1MEN1KMT2AALDH1A1LMNA

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
EP-1164125-A1 ADAMANTANE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Daicel Chemical Industries, Ltd. (JP) 2001-12-19 EP disclosed