SCHEMBL14229082

SCHEMBL14229082

CCCCCCN(C(=O)CCC)C(C)CC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM4C Q9H3R0 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
SCHEMBL14230055 0.92 EPHX2 (0.42) EPHX2MEN1FAAHMAPK1KMT2A
SCHEMBL14229902 0.89 EPHX2 (0.48) EPHX2LMNAMEN1FAAHMAPK1
SCHEMBL14229463 0.89 EPHX2 (0.48) EPHX2
SCHEMBL14229257 0.85 EPHX2 (0.47) EPHX2MEN1KMT2ACES2CES1
SCHEMBL14229927 0.84 EPHX2 (0.42) EPHX2
SCHEMBL21287951 0.84 EPHX2 (0.49) EPHX2LMNAMEN1FAAHMAPK1
SCHEMBL3370091 0.82 EPHX2 (0.51) EPHX2KDM5APHF8KDM4C
SCHEMBL14229536 0.81 EPHX2 (0.40) EPHX2MAPK1KDM5AKDM4C
SCHEMBL14201131 0.81 EPHX2 (0.40) EPHX2KDM5APHF8KDM4C
SCHEMBL14229461 0.80 EPHX2 (0.46) EPHX2MEN1KMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed