SCHEMBL11834833

SCHEMBL11834833

CCCCCc1cc(O)c2c3c(c(=O)oc2c1)SC(C)(C)C3

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
CNR1 P21554 7/20 0.44
CNR2 P34972 7/20 0.44
GPR55 Q9Y2T6 1/20 0.42
ABCB1 P08183 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
TRPV1 Q8NER1 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11845600 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL11738042 0.80 ALDH1A1 (0.61) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL11739818 0.79 ALDH1A1 (0.60) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL11738683 0.79 ALDH1A1 (0.60) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL11834986 0.78 ALDH1A1 (0.56) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL274753 0.77 ALDH1A1 (0.72) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL11760641 0.75 ALDH1A1 (0.63) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL280013 0.74 ALDH1A1 (0.58) ALDH1A1MAPTHTTGAASMN1; SMN2
SCHEMBL11736088 0.73 ALDH1A1 (0.67) ALDH1A1MAPTHTTGAASMN1; SMN2
Hydrochloric Acid SCHEMBL11739109 0.72 ALDH1A1 (0.66) ALDH1A1MAPTHTTGAASMN1; SMN2

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-3946111-A ANALYGESICS SHARPS ASSOCIATES (US) 1976-03-23 US disclosed