SCHEMBL15929639

SCHEMBL15929639

COc1cc(-c2ccc(O)c(C)c2)ccc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
ESR2 Q92731 1/20 0.49
GAA P10253 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RORC P51449 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Ethane SCHEMBL27954414 0.89 MAOB (0.53) HSD17B1HSD17B2ESR2GAAHSD17B10
SCHEMBL13695139 0.86 TSHR (0.45) GAAHSD17B10MEN1LMNAMAPT
SCHEMBL14599496 0.86 HSD17B1 (0.52) HSD17B1HSD17B2ESR2GAAHSD17B10
SCHEMBL9440147 0.85 ALDH1A1 (0.56) HSD17B10HPGDTDP1ALDH1A1CYP3A4
SCHEMBL12259115 0.84 ALDH1A1 (0.50) GAAHSD17B10MEN1HPGDKMT2A
SCHEMBL17117158 0.83 ALDH1A1 (0.54) HSD17B10HPGDTDP1ALDH1A1CYP3A4
SCHEMBL29696046 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2HSD17B10MAPT
SCHEMBL272034 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2HSD17B10MAPT
SCHEMBL29429121 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2HSD17B10MAPT
SCHEMBL26979937 0.81 HSD17B1 (0.68) HSD17B1HSD17B2ESR2HSD17B10MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035287-B2 Polymeric materials for use in metal-oxide-semiconductor field-effect transistors POLYERA CORPORATION (US) 2015-05-19 US disclosed
US-20140217395-A1 Polymeric Materials for Use in Metal-Oxide-Semiconductor Field-Effect Transistors POLYERA CORPORATION (US) 2014-08-07 US disclosed