SCHEMBL14229463

SCHEMBL14229463

CCCCCCN(C(=O)CCC)C(C)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
CA1 P00915 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 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
SCHEMBL14229927 0.95 EPHX2 (0.42) EPHX2FFAR1FFAR4ACE2GPR84
SCHEMBL3370091 0.93 EPHX2 (0.51) EPHX2FFAR1FFAR4ACE2GPR84
SCHEMBL14229902 0.93 EPHX2 (0.48) EPHX2
SCHEMBL14229082 0.89 EPHX2 (0.50) EPHX2
SCHEMBL14229536 0.86 EPHX2 (0.40) EPHX2CA1TP53
SCHEMBL14229257 0.82 EPHX2 (0.47) EPHX2GPR84
SCHEMBL14200985 0.82 GPR84 (0.40) EPHX2FFAR1FFAR4ACE2GPR84
SCHEMBL14230055 0.82 EPHX2 (0.42) EPHX2CA1TP53
SCHEMBL14230058 0.81 CA2 (0.42) EPHX2FFAR4ACE2CA1TP53
SCHEMBL14229461 0.81 EPHX2 (0.46) EPHX2FFAR1FFAR4GPR84

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