SCHEMBL11285241

SCHEMBL11285241

COc1ccc(C)cc1.OCC(O)COCC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
TSHR P16473 3/20 0.50
MAPK1 P28482 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
AGTR1 P30556 1/20 0.45
RELA Q04206 1/20 0.44
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14538696 0.81 CA1 (0.73) TSHRMAPK1CA1CA2ALDH1A1
SCHEMBL1194332 0.81 CA1 (0.73) TSHRMAPK1CA1CA2ALDH1A1
SCHEMBL1194330 0.81 CA1 (0.73) TSHRMAPK1CA1CA2ALDH1A1
SCHEMBL1496759 0.79 TSHR (0.69) TSHRMAPK1ALDH1A1MAPTCYP2C9
Toluene SCHEMBL2034748 0.79 CYP1A2 (0.53) ACHETSHRMAPK1CA1CA2
SCHEMBL6493739 0.79 TSHR (0.69) TSHRMAPK1ALDH1A1MAPTCYP2C9
SCHEMBL13204668 0.79 TSHR (0.69) TSHRMAPK1ALDH1A1MAPTCYP2C9
SCHEMBL14934283 0.79 TSHR (0.62) TSHRMAPK1ALDH1A1MAPTCYP2C9
SCHEMBL1496690 0.79 TSHR (0.62) TSHRMAPK1ALDH1A1MAPTCYP2C9
SCHEMBL16174419 0.79 TSHR (0.62) TSHRMAPK1ALDH1A1MAPTCYP2C9

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-4340662-A PHOTOSENSITIVE FILMS ENERGY CONVERSION DEVICES, INC. (US) 1982-07-20 US disclosed
US-4281058-A A PHOTOSENSITIVE COMPLEX OF THE TELLURIUM COMPOUND AND A GLYCEROL ETHER OR THIOETHER; NONSILVER PHOTOGRAPHY ENERGY CONVERSION DEVICES, INC. (US) 1981-07-28 US disclosed