SCHEMBL12055305

SCHEMBL12055305

CC(=O)Oc1ccc(-c2coc3c(C)c(C)ccc3c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TP53 P04637 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX15 P16050 3/20 0.48
▸ ALOX12 P18054 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.46
▸ XDH P47989 2/20 0.44
▸ PFKFB3 Q16875 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 2/20 0.43

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
SCHEMBL2069324 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL133521 0.88 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2070396 0.84 MAPT (0.65) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2069790 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL329814 0.81 XDH (0.55) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL7509276 0.81 MAPT (0.58) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL151650 0.81 MAPT (0.54) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL4300808 0.80 MAPT (0.61) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL1724568 0.78 MAPT (0.85) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1
SCHEMBL2604722 0.78 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1MAPTKDM4ENPC1

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-8084628-B2 Substituted chroman derivatives, medicaments and use in therapy MARSHALL EDWARDS, INC. (US) 2011-12-27 — — US disclosed
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