SCHEMBL14229079

SCHEMBL14229079

CCCCCC(C)N(C(=O)C(C)CC)c1ccc(F)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
MLYCD O95822 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL14229498 0.91 GAA (0.34) GAAS1PR1
SCHEMBL14229322 0.88 MLYCD (0.33) POLBGAAMAPTCA1MLYCD
SCHEMBL14230195 0.88 POLB (0.34) POLBMLYCDS1PR1
SCHEMBL14230059 0.87 SMN1; SMN2 (0.33) POLBGAAMAPTS1PR1
SCHEMBL14201121 0.86 MLYCD (0.32) POLBMLYCDS1PR1
SCHEMBL14229087 0.85 GAA (0.34) GAAS1PR1
SCHEMBL14230196 0.85 CYP1A2 (0.34) S1PR1
SCHEMBL14229889 0.84 MEN1 (0.33)
SCHEMBL14230193 0.84 MLYCD (0.31) POLBMLYCDS1PR1
SCHEMBL14201151 0.81 POLB (0.32) POLBMLYCD

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