SCHEMBL9769341

SCHEMBL9769341

C[C@H](Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
SIRT5 Q9NXA8 1/20 0.55
CA2 P00918 4/20 0.47
CA1 P00915 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
PTGS1 P23219 1/20 0.42
VCAM1 P19320 3/20 0.40
GAA P10253 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
GALR3 O60755 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9852829 1.00 HPN (0.55) HPNMAPTALOX15SIRT5CA2
SCHEMBL9168124 1.00 HPN (0.55) HPNMAPTALOX15SIRT5CA2
SCHEMBL9165330 1.00 HPN (0.55) HPNMAPTALOX15SIRT5CA2
SCHEMBL10698130 0.84 ALOX15 (0.63) HPNMAPTALOX15SIRT5CA2
SCHEMBL646923 0.82 ALOX15 (0.61) HPNMAPTALOX15SIRT5CA2
SCHEMBL9504462 0.82 ALOX15 (0.61) HPNMAPTALOX15SIRT5CA2
SCHEMBL9346614 0.81 ALDH1A1 (0.47) HPNMAPTALOX15SIRT5SMN1; SMN2
SCHEMBL9701041 0.81 ALDH1A1 (0.47) HPNMAPTALOX15SIRT5SMN1; SMN2
SCHEMBL10503818 0.80 ALOX15 (0.63) HPNMAPTALOX15SIRT5CA2
SCHEMBL11739235 0.79 ALOX15 (0.57) HPNMAPTALOX15SIRT5CA2

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-5064860-A Disease therapy G. D. SEARLE & CO. (US) 1991-11-12 US disclosed