SCHEMBL10033069

SCHEMBL10033069

CS(=O)(=O)c1ccc(C2C(CC(=O)O)CCCC2N(CCC2CCCCC2)CCC2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.36
RORC P51449 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
NAAA Q02083 1/20 0.33
ASAH1 Q13510 1/20 0.33
S1PR1 P21453 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL1709410 0.80 POLB (0.35) KMT2AMEN1
SCHEMBL1709408 0.75 DGAT1 (0.38)
SCHEMBL1709407 0.74 TP53 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL1709409 0.74 POLB (0.38) KMT2AMEN1
SCHEMBL1709480 0.74 NPC1 (0.38) ALDH1A1
SCHEMBL1709405 0.74 TACR1 (0.38)
SCHEMBL1709497 0.74 EPHX2 (0.43) KMT2AALDH1A1
SCHEMBL10033121 0.72 USP30 (0.38) KMT2A
SCHEMBL10032831 0.72 TACR1 (0.36)
SCHEMBL10032832 0.72 TACR1 (0.36)

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
WO-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed