SCHEMBL18859976

SCHEMBL18859976

CC(O)COc1ccc(C(C)(C)c2ccc(OC3CO3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 4/20 0.51
TP53 P04637 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
HIF1A Q16665 2/20 0.51
CYP1A2 P05177 1/20 0.51
PPARG P37231 1/20 0.51
HTT P42858 3/20 0.47
AR P10275 2/20 0.46
LMNA P02545 1/20 0.44
KDM4E B2RXH2 4/20 0.38
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8402198 0.90 HIF1A (0.55) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL18705910 0.87 HIF1A (0.51) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL376300 0.84 HIF1A (0.61) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL815171 0.84 ALDH1A1 (0.76) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL12164629 0.84 HTT (0.48) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL12045495 0.84 MAPT (0.67) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL17666783 0.83 KMT2A (0.65) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL10335523 0.82 KMT2A (0.49) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL18133551 0.82 ALDH1A1 (0.56) KMT2AMAPTMEN1ALDH1A1TP53
SCHEMBL7915436 0.82 ALDH1A1 (0.56) KMT2AMAPTMEN1ALDH1A1TP53

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-9650468-B2 Encapsulation of active agents for on-demand release SOUTHWEST RESEARCH INSTITUTE (US) 2017-05-16 US disclosed
US-9650468-B2 Encapsulation of active agents for on-demand release SOUTHWEST RESEARCH INSTITUTE (US) 2017-05-16 US disclosed