SCHEMBL9621562

SCHEMBL9621562

CC(C)(C)c1cc(SCCC(O)CCO)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPN P05981 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.46
▸ VCAM1 P19320 6/20 0.43
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ GSR P00390 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ GABBR2 O75899 1/20 0.38
▸ TP53 P04637 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
SCHEMBL9701573 0.85 HPN (0.44) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9701568 0.84 MAPT (0.45) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9168126 0.83 ALOX15 (0.50) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL8834137 0.82 MAPT (0.57) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9492905 0.80 ALOX15 (0.47) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL646924 0.80 ALOX15 (0.63) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9701236 0.79 ALOX15 (0.44) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL8834596 0.79 MAPT (0.53) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9621401 0.78 VCAM1 (0.52) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL8834331 0.78 ALOX15 (0.52) ALOX15MAPTHPNSIRT5VCAM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036105-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1991-07-30 — — US claimed
US-5162365-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1992-11-10 — — US disclosed
US-5036105-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1991-07-30 — — US disclosed
US-4801611-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1989-01-31 — — US disclosed
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