SCHEMBL9621875

SCHEMBL9621875

CC(C(=O)O)C(O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 12/20 0.43
▸ MAPT P10636 2/20 0.41
▸ HPN P05981 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ GLRA3 O75311 1/20 0.37
▸ GLRB P48167 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL9492905 0.84 ALOX15 (0.47) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9168126 0.81 ALOX15 (0.50) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9701236 0.81 ALOX15 (0.44) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9328163 0.79 HPN (0.47) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL10682020 0.78 HPN (0.44) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9680931 0.77 VCAM1 (0.40) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9621401 0.76 VCAM1 (0.52) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9158352 0.76 VCAM1 (0.46) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL10356729 0.76 VCAM1 (0.39) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9711429 0.76 HPN (0.41) VCAM1MAPTHPNALOX15SIRT5

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-4801611-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1989-01-31 — — 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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