SCHEMBL21177982

SCHEMBL21177982

CCc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.42
PTPN5 P54829 1/20 0.41
KDM4E B2RXH2 2/20 0.40
RCE1 Q9Y256 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTPN1 P18031 4/20 0.39
PTPN6 P29350 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PTPN2 P17706 1/20 0.39
HK2 P52789 1/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL23940774 0.80 PTPN5 (0.40) PTPN5KDM4ERCE1GABRA1GABRB2
SCHEMBL28689603 0.78 HDAC4 (0.48) PDE4BPTPN5GABRA1GABRB2HDAC4
SCHEMBL9423903 0.76 HDAC4 (0.47) PDE4BPTPN5KDM4ERCE1GABRA1
SCHEMBL14781410 0.76 PTPN5 (0.48) PTPN5GABRA1GABRB2HDAC4HDAC2
SCHEMBL10770174 0.74 GABRA1 (0.50) PTPN5KDM4ERCE1GABRA1GABRB2
SCHEMBL10911038 0.74 GABRA1 (0.61) PTPN5GABRA1GABRB2HDAC4HDAC2
SCHEMBL23940765 0.74 ESR1 (0.42) PTPN5KDM4ERCE1GABRA1GABRB2
SCHEMBL11022297 0.73 PTPN1 (0.42) PDE4BPTPN5KDM4EGABRA1GABRB2
SCHEMBL2870897 0.73 HDAC4 (0.44) PDE4BPTPN5KDM4EGABRA1GABRB2
SCHEMBL27747968 0.73 PTGS2 (0.38) PTPN5GABRA1GABRB2HDAC4HDAC2

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
WO-2019142501-A1 RUBBER COMPOSITION, TIRE, CONVEYOR BELT, RUBBER CRAWLER, VIBRATION-DAMPING DEVICE, SEISMIC ISOLATOR, AND HOSE 株式会社ブリヂストン 2019-07-25 WO disclosed