SCHEMBL91357

SCHEMBL91357

CCC(C)(CC)c1c(F)cc(C)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 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
SCHEMBL78435 0.82 L3MBTL1 (0.35) L3MBTL1RAPGEF4HTT
SCHEMBL20089652 0.81 RAPGEF4 (0.33) RAPGEF4
SCHEMBL22454710 0.76 RAPGEF4 (0.34) L3MBTL1RAPGEF4HTT
SCHEMBL19833099 0.74 ESR1 (0.31)
SCHEMBL17552753 0.74 RIPK1 (0.33)
SCHEMBL78162 0.73 L3MBTL1 (0.39) L3MBTL1RAPGEF4HTTTSHR
SCHEMBL10256479 0.70 ALDH1A1 (0.40) RAPGEF4TSHR
SCHEMBL91339 0.68 RAPGEF4 (0.33) L3MBTL1RAPGEF4TSHR
SCHEMBL20091626 0.67 RIPK1 (0.36)
SCHEMBL12597845 0.67 L3MBTL1 (0.43) L3MBTL1RAPGEF4HTTTSHR

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed