SCHEMBL19439762

SCHEMBL19439762

CC(C)(C)c1cc(C(C)(C)c2ccc(OCC3OC3C3OC3COc3c(C(C)(C)C)cc(C(C)(C)c4cc(C(C)(C)C)c(OCC5CO5)c(C(C)(C)C)c4)cc3C(C)(C)C)c(C(C)(C)C)c2)ccc1OCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
GLA P06280 1/20 0.36
VDR P11473 1/20 0.33
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RBP4 P02753 2/20 0.31
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12558176 0.86 TSHR (0.59) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2836185 0.82 ALDH1A1 (0.55) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL10460513 0.80 ALDH1A1 (0.56) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL3148512 0.80 ALDH1A1 (0.53) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL12310746 0.75 ALDH1A1 (0.60) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL10460881 0.75 ALDH1A1 (0.55) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL1755839 0.74 ALDH1A1 (0.64) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL10021043 0.73 ALDH1A1 (0.67) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL2832116 0.72 ALDH1A1 (0.47) TP53TSHRALDH1A1MAPTHPGD
SCHEMBL467256 0.72 ALDH1A1 (0.60) TP53TSHRALDH1A1MAPTHPGD

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-2017167690-A1 NEGATIVE TYPE PHOTOSENSITIVE COMPOSITION CURABLE AT LOW TEMPERATURE AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (LU) 2017-10-05 WO disclosed