SCHEMBL20052301

SCHEMBL20052301

COc1ccc(C(C)(C)c2ccc(OCC3CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
TP53 P04637 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
TSHR P16473 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 1/20 0.57
PPARG P37231 1/20 0.57
HIF1A Q16665 1/20 0.57
ACACB O00763 1/20 0.47
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42

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
SCHEMBL16838742 0.88 TDP1 (0.73) TDP1PARP15PARP10PARP2DRD2
SCHEMBL17296954 0.87 TP53 (0.57) TDP1TP53MAPTHPGDTSHR
SCHEMBL19663443 0.85 HPGD (0.58) TDP1TP53MAPTHPGDTSHR
SCHEMBL13043066 0.83 ALDH1A1 (0.85) TDP1TP53MAPTHPGDTSHR
SCHEMBL15163725 0.83 ALDH1A1 (0.85) TDP1TP53MAPTHPGDTSHR
SCHEMBL11937213 0.82 DRD2 (0.52) TDP1TP53MAPTHPGDTSHR
SCHEMBL9290002 0.81 ALDH1A1 (0.88) TDP1TP53MAPTHPGDTSHR
SCHEMBL8578285 0.81 KMT2A (0.64) TDP1TP53MAPTHPGDTSHR
SCHEMBL16838743 0.80 TDP1 (0.69) TDP1PARP15PARP10PARP2
SCHEMBL24837574 0.80 TP53 (0.61) TDP1TP53MAPTHPGDTSHR

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