SCHEMBL28033959

SCHEMBL28033959

C=CC(=O)Oc1c(C)cc(C)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ THRB P10828 4/20 0.38
▸ THRA P10827 1/20 0.38
▸ TYMS P04818 1/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL15302753 0.88 HTT (0.63) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL19919323 0.86 MAPT (0.42) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL15302145 0.82 TYMS (0.43) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL30637637 0.82 TYMS (0.43) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL27947715 0.81 TSHR (0.43) HTTKDM4ETP53MAPTHSD17B10
Hydrogen Sulfide SCHEMBL28837728 0.79 TSHR (0.42) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL28910527 0.77 KDM4E (0.41) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL21733603 0.76 CYP1A2 (0.44) KDM4ETP53MAPTHSD17B10THRB
SCHEMBL8835816 0.75 THRB (0.40) HTTKDM4ETP53MAPTHSD17B10
SCHEMBL25565205 0.75 L3MBTL1 (0.47) KDM4EHSD17B10THRBTHRATYMS

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
CN-105073807-A Curable resin composition, cured product, and optical article NIPPON STEEL & SUMIKIN CHEM CO 2015-11-18 — — CN disclosed
Send feedback