SCHEMBL9330356

SCHEMBL9330356

CC(CC(=O)O)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ SIRT5 Q9NXA8 1/20 0.47
▸ VCAM1 P19320 10/20 0.46
▸ GLRA3 O75311 1/20 0.42
▸ GLRB P48167 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA1 P00915 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GABBR2 O75899 1/20 0.39
▸ GABBR1 Q9UBS5 1/20 0.39

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
SCHEMBL10961680 0.83 MAPT (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10684361 0.82 HPN (0.42) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10765658 0.81 VCAM1 (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL11563339 0.80 MAPT (0.53) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL10731753 0.80 MAPT (0.42) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9847649 0.79 VCAM1 (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9707081 0.79 CACNA1A (0.46) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8823327 0.79 ALOX15 (0.56) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL8823326 0.79 ALOX15 (0.56) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9328104 0.79 HPN (0.52) HPNMAPTALOX15SIRT5VCAM1

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
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 — — EP claimed
Send feedback