SCHEMBL9547633

SCHEMBL9547633

COC(=O)CNCCCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.49
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 2/20 0.43
EPHX1 P07099 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
FKBP1A P62942 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9542868 0.90 EPHX2 (0.51) EPHX2KDM4EPOLBSIGMAR1EPHX1
SCHEMBL9544427 0.80 EPHX2 (0.51) EPHX2KDM4EPOLBEPHX1KMT2A
SCHEMBL22096239 0.80 EPHX2 (0.51) EPHX2KDM4EPOLBEPHX1KMT2A
SCHEMBL4662750 0.80 EPHX2 (0.51) EPHX2KDM4EPOLBEPHX1KMT2A
SCHEMBL560936 0.79 EPHX2 (0.53) EPHX2SIGMAR1EPHX1SMN1; SMN2CYP1A2
SCHEMBL2907816 0.78 HPGD (0.53) EPHX2MEN1MAPTKMT2AATM
SCHEMBL9130829 0.78 HPGD (0.53) EPHX2MEN1MAPTKMT2AATM
SCHEMBL2810358 0.78 EPHX2 (0.49) EPHX2KDM4EPOLBEPHX1KMT2A
SCHEMBL25129712 0.78 SIGMAR1 (0.41) KDM4EPOLBSIGMAR1EPHX1SMN1; SMN2
SCHEMBL27672250 0.77 EPHX2 (0.53) EPHX2SIGMAR1EPHX1CYP1A2KMT2A

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