SCHEMBL3887968

SCHEMBL3887968

CCn1ncc2cc(-c3cc(CC(C)C(=O)O)cc([N+](=O)[O-])c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
RAD51 Q06609 2/20 0.33
HDAC8 Q9BY41 3/20 0.31
AR P10275 1/20 0.31
ACACB O00763 1/20 0.31
MME P08473 1/20 0.30

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
SCHEMBL3883989 0.89 RAD51 (0.36) FFAR4RAD51
SCHEMBL3883995 0.89 RAD51 (0.36) FFAR4RAD51
SCHEMBL3889954 0.88 FFAR4 (0.36) FFAR4RAD51HDAC8ARMME
SCHEMBL3887972 0.86 CCNC (0.35) RAD51
SCHEMBL3882740 0.85 AKR1C3 (0.36)
SCHEMBL3884939 0.85 CHRNA7 (0.32) ARMME
SCHEMBL3888551 0.84 FFAR4 (0.39) FFAR4RAD51HDAC8ARACACB
SCHEMBL3883918 0.83 TRPA1 (0.38)
SCHEMBL3881968 0.82 PTGS2 (0.39)
SCHEMBL2944414 0.79 AR (0.39) FFAR4HDAC8AR

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
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP claimed