SCHEMBL6878631

SCHEMBL6878631

COC(=O)Cc1ccc(-c2ccc(C34CC5CCCC(C3)C(C5)C4)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HRH3 Q9Y5N1 7/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6876907 0.86 MEN1 (0.40) MAPTNPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1758644 0.84 EPHX2 (0.56) EPHX2MAPTCYP4F2CYP4A11RAB9A
SCHEMBL6880231 0.74 KDM1A (0.42) EPHX2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL6878609 0.74 EPHX2 (0.41) EPHX2MAPTCYP4F2CYP4A11RAB9A
SCHEMBL6880849 0.73 HDAC1 (0.50) EPHX2MAPTNPC1GAASMN1; SMN2
SCHEMBL14755639 0.72 MEN1 (0.41) EPHX2HRH3RAB9ANPC1GAA
SCHEMBL1758784 0.71 NPC1 (0.48) EPHX2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8289283 0.70 ALDH1A1 (0.38) EPHX2MAPTRAB9ANPC1GAA
SCHEMBL1758651 0.70 LMNA (0.53) EPHX2RAB9ANPC1GAASMN1; SMN2
SCHEMBL10046724 0.69 HDAC11 (0.56) EPHX2MAPTGAASMN1; SMN2ALDH1A1

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