SCHEMBL18965865

SCHEMBL18965865

CC(CC(C)(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1C(=O)OC(C)(C)C(C)COC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
TSHR P16473 1/20 0.40
PRKCA P17252 1/20 0.37
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL26339805 0.89 CYP2D6 (0.46) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL561394 0.83 ALDH1A1 (0.60) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL4577204 0.81 CYP1A2 (0.49) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL15133423 0.77 ALDH1A1 (0.47) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL14947114 0.77 ALDH1A1 (0.62) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL26338974 0.76 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL26338929 0.76 ALDH1A1 (0.65) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL6371113 0.74 ALDH1A1 (0.63) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL16920459 0.74 ALDH1A1 (0.63) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL12311197 0.73 TSHR (0.53) ALDH1A1ADRB2ADRB1ADRB3TSHR

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-2017099041-A1 POLYIMIDE FILM, FLEXIBLE PRINTED BOARD, LED LIGHTING DEVICE ETC. コニカミノルタ株式会社 2017-06-15 WO disclosed