SCHEMBL11064341

SCHEMBL11064341

CCCCCC1CCC(CCc2ccc(-c3ccc(C(=O)OC)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.49
RARB P10826 6/20 0.48
CYP4F2 P78329 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GRM2 Q14416 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
CHRM4 P08173 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL11064346 1.00 CYP4A11 (0.49) CYP4A11RARBCYP4F2MAPTMEN1
SCHEMBL11060365 0.96 CYP4A11 (0.52) CYP4A11CYP4F2MAPTMEN1KMT2A
SCHEMBL11060372 0.96 CYP4A11 (0.52) CYP4A11CYP4F2MAPTMEN1KMT2A
SCHEMBL11058919 0.95 CYP4A11 (0.51) CYP4A11RARBCYP4F2MAPTSMN1; SMN2
SCHEMBL11065191 0.95 CYP4A11 (0.51) CYP4A11RARBCYP4F2MAPTSMN1; SMN2
SCHEMBL11065186 0.95 CYP4A11 (0.51) CYP4A11RARBCYP4F2MAPTSMN1; SMN2
SCHEMBL11058923 0.95 CYP4A11 (0.51) CYP4A11RARBCYP4F2MAPTSMN1; SMN2
SCHEMBL11061983 0.92 CYP4A11 (0.54) CYP4A11CYP4F2MAPTMEN1ALDH1A1
SCHEMBL11061985 0.92 CYP4A11 (0.54) CYP4A11CYP4F2MAPTMEN1ALDH1A1
SCHEMBL11061034 0.91 CYP4A11 (0.49) CYP4A11RARBCYP4F2MAPTMEN1

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-4439015-A Disubstituted ethanes HOFFMANN-LA ROCHE INC. (US) 1984-03-27 US disclosed