SCHEMBL9542868

SCHEMBL9542868

COC(=O)CNCCC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.51
EPHX1 P07099 2/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.41
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.40
SIGMAR1 Q99720 2/20 0.38
KLK7 P49862 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
SCHEMBL9547633 0.90 EPHX2 (0.49) EPHX2EPHX1KMT2AMEN1MAPT
SCHEMBL27617747 0.84 EPHX2 (0.51) EPHX2EPHX1KMT2AMEN1MAPT
SCHEMBL4662750 0.83 EPHX2 (0.51) EPHX2EPHX1KMT2AALDH1A1KDM4E
SCHEMBL22096239 0.83 EPHX2 (0.51) EPHX2EPHX1KMT2AALDH1A1KDM4E
SCHEMBL9544427 0.83 EPHX2 (0.51) EPHX2EPHX1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1678497 0.83 EPHX2 (0.50) EPHX2EPHX1KMT2AMEN1MAPT
SCHEMBL13301926 0.81 GNAI3 (0.38) EPHX2ALDH1A1BCHEKDM4ESIGMAR1
SCHEMBL2907816 0.81 HPGD (0.53) EPHX2KMT2AMEN1MAPTATM
SCHEMBL2810358 0.81 EPHX2 (0.49) EPHX2EPHX1KMT2AALDH1A1KDM4E
SCHEMBL9130829 0.81 HPGD (0.53) EPHX2KMT2AMEN1MAPTATM

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed