SCHEMBL20052299

SCHEMBL20052299

CCC(O)COc1ccc(Cc2ccc(OCC3CO3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
HIF1A Q16665 2/20 0.48
CYP1A2 P05177 1/20 0.48
PPARG P37231 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.40
MGLL Q99685 2/20 0.39

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
SCHEMBL9446386 0.92 TDP1 (0.51) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL17635579 0.89 ALDH1A1 (0.50) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL17296956 0.88 TP53 (0.47) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL29759011 0.88 TDP1 (0.47) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL17012003 0.87 TP53 (0.41) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL26218755 0.86 TDP1 (0.46) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL13002054 0.86 ALDH1A1 (0.50) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL13514844 0.85 TDP1 (0.45) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL14550289 0.85 TDP1 (0.45) TP53TSHRHPGDALDH1A1KMT2A
SCHEMBL14550342 0.85 TDP1 (0.45) TP53TSHRHPGDALDH1A1KMT2A

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
US-9947480-B2 Electrolyte material formulation, electrolyte material composition formed therefrom and use thereof ETERNAL MATERIALS CO., LTD. (TW) 2018-04-17 US disclosed