SCHEMBL9847649

SCHEMBL9847649

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 12/20 0.46
▸ MAPT P10636 2/20 0.40
▸ HPN P05981 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ GLRA3 O75311 1/20 0.36
▸ GLRB P48167 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL9330356 0.79 HPN (0.47) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9735154 0.79 VCAM1 (0.48) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9158690 0.76 HPN (0.44) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL10961680 0.75 MAPT (0.46) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9852829 0.74 HPN (0.55) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9769341 0.74 HPN (0.55) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9165330 0.74 HPN (0.55) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL9168124 0.74 HPN (0.55) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL6438215 0.74 VCAM1 (0.48) VCAM1MAPTHPNALOX15SIRT5
SCHEMBL29638845 0.74 VCAM1 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414206-A2 2,4,6-Substituted phenol derivatives SHIONOGI & CO., LTD. (JP) 1991-02-27 — — EP disclosed
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