SCHEMBL9621762

SCHEMBL9621762

CC1(C)OCCC(CCSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
CPT1B Q92523 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 3/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
PTGS2 P35354 3/20 0.30
VCAM1 P19320 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9847668 0.88 HPN (0.39) HPNMAPTALOX15SIRT5TDP1
SCHEMBL646924 0.71 ALOX15 (0.63) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8834366 0.70 HPN (0.44) HPNMAPTALOX15SIRT5TDP1
SCHEMBL8390048 0.70 ALOX15 (0.53) HPNMAPTALOX15SIRT5TDP1
SCHEMBL5574415 0.70 ALOX15 (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL6274710 0.70 ALOX15 (0.45) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL9621523 0.69 HPN (0.37) HPNMAPTALOX15SIRT5
SCHEMBL9621054 0.69 HPN (0.37) HPNMAPTALOX15SIRT5
SCHEMBL14417966 0.69 ALOX15 (0.44) HPNMAPTALOX15SIRT5VCAM1
SCHEMBL5574287 0.69 ALOX15 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162365-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1992-11-10 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