SCHEMBL11247595

SCHEMBL11247595

C=CCOC(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.58
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
EPHX1 P07099 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL14644904 0.80 EPHX2 (0.57) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
Acrylic Acid SCHEMBL31456574 0.78 LMNA (0.49) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL8213486 0.77 EPHX2 (0.53) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL13320026 0.77 LMNA (0.58) EPHX2ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL28690139 0.77 ALDH1A1 (0.50) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL13320029 0.76 L3MBTL1 (0.58) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL17348282 0.75 L3MBTL1 (0.54) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL13320019 0.75 L3MBTL1 (0.57) EPHX2ALDH1A1SMN1; SMN2LMNATHRB
SCHEMBL1065700 0.74 EPHX2 (1.00) EPHX2
SCHEMBL7797331 0.74 ALDH1A1 (0.50) EPHX2ALDH1A1LMNAKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013663-B1 PROCESS FOR REMOVING AN ALLYLIC GROUP FROM ALLYLIC ESTERS, CARBONATES AND CARBAMATES SCHERING CORPORATION (US) 1982-11-17 EP disclosed
US-4314942-A Deprotection of allylic esters, carbonates and carbamates catalyzed by palladium compounds SCHERING CORPORATION (US) 1982-02-09 US disclosed
EP-0013663-A1 Process for removing an allylic group from allylic esters, carbonates and carbamates SCHERING CORPORATION (US) 1980-07-23 EP disclosed