SCHEMBL13869878

SCHEMBL13869878

CCOC(=O)c1c(C)sc2c(O)cc(Cc3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ ALOX5 P09917 10/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ GABRA1 P14867 1/20 0.44
▸ GABRB1 P18505 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL3986612 0.88 MAPT (0.52) MAPTLMNAALOX12ALOX5SMN1; SMN2
SCHEMBL3988992 0.88 MAPT (0.67) MAPTLMNAALOX12ALOX5SMN1; SMN2
SCHEMBL13869904 0.76 SMN1; SMN2 (0.51) MAPTLMNAALOX12ALOX5SMN1; SMN2
SCHEMBL13886692 0.71 MAPT (0.60) MAPTLMNAALOX12SMN1; SMN2ALDH1A1
SCHEMBL13343534 0.71 MAPT (0.64) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL18357522 0.69 ALDH1A1 (0.53) MAPTLMNAALOX12ALOX5SMN1; SMN2
SCHEMBL13869870 0.69 MAPT (0.51) MAPTLMNAALOX12SMN1; SMN2ALDH1A1
SCHEMBL3982203 0.69 MAPT (0.64) MAPTLMNAALOX12SMN1; SMN2ALDH1A1
SCHEMBL31351335 0.68 GABRA1 (0.55) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL26661125 0.68 GABRA1 (0.55) MAPTLMNAALDH1A1MEN1KMT2A

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-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 — — US disclosed
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