SCHEMBL6878609

SCHEMBL6878609

COC(=O)Cc1ccc(CNCCCC23CC4CCCC(C2)C(C4)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
TLR7 Q9NYK1 3/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
KMT2A Q03164 1/20 0.34
CXCR4 P61073 7/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6880231 0.85 KDM1A (0.42) EPHX2KDM4EHDAC6ALDH1A1RAB9A
SCHEMBL6879117 0.74 EPHX2 (0.35) EPHX2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1758674 0.74 HDAC6 (0.52) EPHX2HDAC6KMT2ARAB9ASMN1; SMN2
SCHEMBL6878384 0.74 HDAC1 (0.44) KDM4EHDAC6KMT2ASMN1; SMN2
SCHEMBL6878631 0.74 EPHX2 (0.42) EPHX2MAPTCYP4F2CYP4A11KMT2A
SCHEMBL6880270 0.73 HDAC6 (0.50) EPHX2KDM4EHDAC6KMT2AALDH1A1
SCHEMBL20535207 0.73 ALDH1A1 (0.53) EPHX2HDAC6CYP4F2CYP4A11KMT2A
SCHEMBL6878370 0.73 MEP1B (0.40) EPHX2MAPTKMT2AALDH1A1RAB9A
SCHEMBL18662245 0.68 KMT2A (0.52) KMT2ACXCR4
SCHEMBL20534925 0.67 HDAC6 (0.73) HDAC6

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-2011058582-A1 HISTONE DEACETYLASE INHIBITORS FOR THE TREATMENT OF FUNGAL INFECTIONS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-05-19 WO disclosed